SCHEMBL1457641

SCHEMBL1457641

COCCn1c(=O)c2c(nc(Br)n2CC=C(C)C)n(C)c1=O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 6/20 0.53
NPSR1 Q6W5P4 4/20 0.53
TSHR P16473 4/20 0.53
KDM4E B2RXH2 2/20 0.52
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.50
TNF P01375 1/20 0.47
DPP4 P27487 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.43

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
SCHEMBL1457576 0.87 LMNA (0.55) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL555680 0.87 LMNA (0.58) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL1457771 0.86 LMNA (0.54) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL554862 0.86 LMNA (0.63) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL556144 0.85 LMNA (0.56) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL1457506 0.85 LMNA (0.53) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL555087 0.84 USP2 (0.71) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL555245 0.84 USP2 (0.60) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1
SCHEMBL1457450 0.83 USP2 (0.70) ALDH1A1SMN1; SMN2LMNANPSR1TSHR
SCHEMBL555691 0.83 LMNA (0.52) ALDH1A1RXFP1SMN1; SMN2LMNANPSR1

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
CN-101293888-B Xanthine derivative, production and use thereof as a medicament BOEHRINGER INGELHEIM PHARMA 2013-09-25 CN 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-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2012-10-04 US 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
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 EP disclosed
EP-2298769-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP disclosed
US-20100204250-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA & CO. KG (DE) 2010-08-12 US 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
CN-1492870-A Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-28 CN 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 (10 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-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 187/4885RXFP1 165/4885SMN1; SMN2 2484/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ALDH1A1 238/4885RXFP1 211/4885SMN1; SMN2 2485/4885
US-20100204250-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 363/4885RXFP1 286/4885SMN1; SMN2 2662/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 363/4885RXFP1 286/4885SMN1; SMN2 2662/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885RXFP1 211/4885SMN1; SMN2 2485/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ALDH1A1 238/4885RXFP1 211/4885SMN1; SMN2 2485/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ALDH1A1 238/4885RXFP1 211/4885SMN1; SMN2 2485/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ALDH1A1 363/4885RXFP1 286/4885SMN1; SMN2 2662/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ALDH1A1 187/4885RXFP1 165/4885SMN1; SMN2 2484/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 ALDH1A1 178/4885RXFP1 440/4885SMN1; SMN2 4117/4885

“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.