SCHEMBL555807

SCHEMBL555807

CC(C)=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
RECQL P46063 1/20 0.62
DPP4 P27487 3/20 0.61
HTT P42858 2/20 0.56
LMNA P02545 4/20 0.56
KMT2A Q03164 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.48
TNF P01375 1/20 0.48

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
SCHEMBL555087 0.84 USP2 (0.71) DPP4LMNAKMT2AMAPK1ALDH1A1
SCHEMBL5718940 0.82 USP2 (0.72) CYP1A2CYP2C19RECQLHTTLMNA
SCHEMBL1457526 0.82 CYP1A2 (0.60) CYP1A2CYP2C19RECQLDPP4HTT
SCHEMBL1457527 0.82 CYP1A2 (0.60) CYP1A2CYP2C19RECQLDPP4HTT
SCHEMBL556308 0.81 LMNA (0.47) CYP1A2CYP2C19RECQLDPP4HTT
SCHEMBL15749696 0.81 CYP1A2 (0.63) CYP1A2CYP2C19RECQLHTTLMNA
SCHEMBL1457624 0.81 GAA (0.72) CYP1A2CYP2C19RECQLHTTLMNA
SCHEMBL1457625 0.81 GAA (0.72) CYP1A2CYP2C19RECQLHTTLMNA
SCHEMBL25522729 0.81 CYP1A2 (0.71) CYP1A2CYP2C19RECQLHTTLMNA
SCHEMBL556220 0.81 CYP1A2 (0.47) CYP1A2CYP2C19RECQLDPP4HTT

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 27 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-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
EP-1953162-A1 Xanthin derivatives, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-08-06 EP disclosed
CN-100408579-C Xanthine derivatives, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2008-08-06 CN 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
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US 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 (11 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 CYP1A2 238/4885CYP2C19 141/4885RECQL 1919/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CYP1A2 203/4885CYP2C19 134/4885RECQL 1362/4885
US-20120252783-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP1A2 219/4885CYP2C19 119/4885RECQL 1349/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP1A2 203/4885CYP2C19 134/4885RECQL 1362/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 CYP1A2 203/4885CYP2C19 134/4885RECQL 1362/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CYP1A2 203/4885CYP2C19 134/4885RECQL 1362/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 CYP1A2 203/4885CYP2C19 134/4885RECQL 1362/4885
US-20140057901-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CYP1A2 219/4885CYP2C19 119/4885RECQL 1349/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP1A2 238/4885CYP2C19 141/4885RECQL 1919/4885
US-20120040982-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP1A2 219/4885CYP2C19 119/4885RECQL 1349/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 CYP1A2 828/4885CYP2C19 560/4885RECQL 3908/4885

“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.