SCHEMBL555326

SCHEMBL555326

Cc1c[nH]c(=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.56
PARP1 P09874 9/20 0.55
KDM4E B2RXH2 5/20 0.53
CYP1A2 P05177 5/20 0.46
ATAD2 Q6PL18 1/20 0.41
TNKS2 Q9H2K2 3/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
PDPK1 O15530 1/20 0.41
CA12 O43570 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
BLM P54132 2/20 0.40
PARP15 Q460N3 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL29914735 1.00 ATM (0.56) ATMPARP1KDM4ECYP1A2ATAD2
SCHEMBL30283346 0.79 PARP1 (0.58) ATMPARP1KDM4EROCK1
SCHEMBL12241457 0.77 PARP1 (0.49) ATMPARP1KDM4EATAD2ALDH1A1
SCHEMBL12440976 0.77 PARP1 (0.49) ATMPARP1KDM4ECYP1A2ATAD2
SCHEMBL12286658 0.77 PARP1 (0.49) ATMPARP1KDM4ECYP1A2ATAD2
SCHEMBL12219900 0.75 TBK1 (0.40) KDM4EALDH1A1LMNAHPGDRECQL
SCHEMBL11816663 0.74 PARP1 (0.52) PARP1KDM4ETNKS2CYP2C19ALDH1A1
SCHEMBL29488098 0.74 PARP1 (0.60) PARP1KDM4ECYP1A2ALDH1A1LMNA
SCHEMBL832144 0.74 PARP1 (0.60) PARP1KDM4ECYP1A2ALDH1A1LMNA
SCHEMBL24556549 0.74 KDM4C (0.47) PARP1ATAD2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111850631-B High-gloss decorative rhodium-plated layer electroplating solution 金川集团股份有限公司 2021-10-08 CN claimed
EP-2298769-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2013-10-30 EP claimed
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 claimed
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 claimed
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 claimed
US-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 US claimed
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 US claimed
EP-1757606-B1 Xanthinderivatives for use as medical agents and the preparation thereof BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-06 EP claimed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP claimed
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 claimed
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 claimed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
EP-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-14 US disclosed
US-9926282-B2 Phthalazinones and isoquinolinones as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-27 US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 US disclosed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 EP disclosed
WO-2002062816-A1 NON-NATURAL NUCLEOTIDES AND DINUCLEOTIDES CELLTECH R & D LIMITED (GB) 2002-08-15 WO disclosed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 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 (9 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-20110144083-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ATM 4376/4885PARP1 2104/4885KDM4E 1166/4885
US-20130165428-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 ATM 4376/4885PARP1 2104/4885KDM4E 1166/4885
US-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ATM 4376/4885PARP1 2104/4885KDM4E 1166/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 ATM 4376/4885PARP1 2104/4885KDM4E 1166/4885
US-20120035158-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ATM 4376/4885PARP1 2104/4885KDM4E 1166/4885
US-20180162823-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 ATM 1396/4885PARP1 677/4885KDM4E 1119/4885
US-20120252782-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 ATM 4376/4885PARP1 2104/4885KDM4E 1166/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR ATM 1286/4885PARP1 1577/4885KDM4E 914/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 ATM 4425/4885PARP1 2814/4885KDM4E 933/4885

“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.