SCHEMBL556216

SCHEMBL556216

Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.80
▸ RXFP1 Q9HBX9 2/20 0.80
▸ ADORA2B P29275 2/20 0.80
▸ PDE1A P54750 1/20 0.80
▸ PDE1B Q01064 1/20 0.80
▸ PDE1C Q14123 1/20 0.80
▸ POLB P06746 1/20 0.71
▸ HIF1A Q16665 1/20 0.71
▸ HTT P42858 2/20 0.62
▸ UBE2N P61088 2/20 0.62
▸ GLA P06280 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CNOT7 Q9UIV1 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ TSHR P16473 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ ABCC8 Q09428 1/20 0.60
▸ KCNJ11 Q14654 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL555718 0.92 SMN1; SMN2 (0.76) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL555839 0.91 PDE1A (0.67) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL555404 0.90 PDE1A (0.73) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL11014928 0.89 POLB (0.83) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL1944405 0.89 ADORA2B (1.00) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL27378736 0.89 PDE1A (0.65) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL555902 0.88 PDE1A (0.70) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL555659 0.88 PDE1A (0.70) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL556098 0.88 PDE1A (0.70) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B
SCHEMBL23974590 0.88 ADORA2A (0.63) SMN1; SMN2RXFP1ADORA2BPDE1APDE1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2014-02-27 — — US disclosed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 — — EP disclosed
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-06-27 — — US disclosed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 — — EP disclosed
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-10-04 — — US disclosed
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-10-04 — — US disclosed
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 — — EP disclosed
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-02-16 — — US disclosed
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM PHARMA GMBH AND CO. KG (DE) 2012-02-09 — — US disclosed
US-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2011-06-16 — — US disclosed
EP-1953162-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 — — EP disclosed
EP-1757606-A1 Xanthinderivatives, preparation thereof and their use as medical agents Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-02-28 — — EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 — — EP disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 — — US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 — — US disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 — — US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 — — US disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 — — EP disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 — — US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110144095-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885RXFP1 286/4885ADORA2B 283/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2484/4885RXFP1 165/4885ADORA2B 517/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885RXFP1 286/4885ADORA2B 283/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 SMN1; SMN2 2485/4885RXFP1 211/4885ADORA2B 314/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885RXFP1 286/4885ADORA2B 283/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2484/4885RXFP1 165/4885ADORA2B 517/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 SMN1; SMN2 2662/4885RXFP1 286/4885ADORA2B 283/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 SMN1; SMN2 4117/4885RXFP1 440/4885ADORA2B 979/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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