SCHEMBL556233

SCHEMBL556233

O=c1[nH]c(=O)n(Cc2ccccc2)c2ncn(Cc3ccccc3)c12

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.82
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
BRD2 P25440 1/20 0.67
BRD3 Q15059 1/20 0.67
BRDT Q58F21 1/20 0.67
PNP P00491 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA3 P0DMS8 1/20 0.55
PDE4A P27815 2/20 0.55
ADORA2A P29274 2/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
PARN O95453 1/20 0.53
CNOT7 Q9UIV1 1/20 0.53

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
SCHEMBL554932 0.91 BRD4 (0.81) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL19090444 0.91 BRD4 (1.00) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL555712 0.89 BRD4 (0.71) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7607643 0.88 PDE4A (0.74) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL556874 0.88 BRD4 (0.66) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL7605036 0.87 BRD4 (0.68) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL556856 0.87 BRD4 (0.65) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL16363917 0.86 BRD4 (0.63) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL2795748 0.86 POLB (0.75) BRD4MEN1KMT2ABRD2BRD3
SCHEMBL9351810 0.86 BRD4 (0.74) BRD4MEN1KMT2ABRD2BRD3

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 28 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
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
EP-0528164-B1 Use of xanthine derivatives for the manufacture of a medicament for the treatment of secondary nerve cell damages and function disorders after head-brain-traumata HOECHST AG (DE) 1996-05-29 EP disclosed
US-5409935-A Inhibit formation of free radicals HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
EP-0528164-A2 Use of xanthine derivatives for the manufacture of a medicament for the treatment of secondary nerve cell damages and function disorders after head-brain-traumata HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-24 EP 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 BRD4 3021/4885MEN1 3162/4885KMT2A 3475/4885
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3145/4885MEN1 3272/4885KMT2A 3433/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3021/4885MEN1 3162/4885KMT2A 3475/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 BRD4 3056/4885MEN1 2867/4885KMT2A 3439/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 BRD4 3021/4885MEN1 3162/4885KMT2A 3475/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3145/4885MEN1 3272/4885KMT2A 3433/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 BRD4 3021/4885MEN1 3162/4885KMT2A 3475/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 BRD4 3499/4885MEN1 4235/4885KMT2A 3251/4885

“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.