SCHEMBL3825075

SCHEMBL3825075

[CH2]c1cccc2cncnc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.47
TRPV1 Q8NER1 2/20 0.37
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL3074807 0.78 EGFR (0.50) EGFRTRPV1PIK3CDPIK3CAKDM4E
SCHEMBL559673 0.77 EGFR (0.48) EGFRTRPV1PIK3CDPIK3CAKDM4E
SCHEMBL276425 0.75 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CAKDM4E
SCHEMBL12747762 0.75 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CAKDM4E
SCHEMBL10765869 0.75 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CACYP1A2
SCHEMBL13857915 0.75 PSMD14 (0.55) EGFRTRPV1PIK3CDPIK3CAKDM4E
SCHEMBL2008884 0.75 CYP3A4 (0.47) EGFRTRPV1PIK3CDPIK3CAKDM4E
SCHEMBL276426 0.75 METAP2 (0.55) EGFRTRPV1KDM4ECYP1A2CYP3A4
SCHEMBL2008880 0.75 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CAKDM4E
SCHEMBL7989490 0.75 EGFR (0.47) EGFRTRPV1PIK3CDPIK3CAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
US-10000476-B2 Pyridone derivative, pharmaceutical containing the same and methods of use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
EP-2789607-B1 PYRIDONE DERIVATIVE AND MEDICINE CONTAINING SAME KAKEN PHARMA CO LTD (JP) 2018-02-07 EP disclosed
CN-107207467-A 2, 4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG 癌症研究科技有限公司 2017-09-26 CN disclosed
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-11-24 US disclosed
US-9447072-B2 Pyridone derivative and pharmaceutical containing same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-09-20 US disclosed
US-20160168540-A1 COMPOSITION FOR MAINTAINING PLATELET FUNCTION KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-06-16 US disclosed
EP-3006029-A1 COMPOSITION FOR MAINTAINING PLATELET FUNCTION Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-13 EP disclosed
US-20150166506-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME KAKEN PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 US disclosed
EP-2789607-A1 PYRIDONE DERIVATIVE AND MEDICINE CONTAINING SAME Kaken Pharmaceutical Co., Ltd. (JP) 2014-10-15 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 EP disclosed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN 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 (7 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 EGFR 4/4885TRPV1 1610/4885PIK3CD 168/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 EGFR 2/4885TRPV1 2138/4885PIK3CD 213/4885
US-20160340349-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME PLPBP, PDXK, PNPO EGFR 2302/4885TRPV1 2334/4885PIK3CD 931/4885
US-10000476-B2 Pyridone derivative, pharmaceutical containing the same and methods of use thereof PNPO, PDXK, PLPBP EGFR 2445/4885TRPV1 2440/4885PIK3CD 1402/4885
US-20160168540-A1 COMPOSITION FOR MAINTAINING PLATELET FUNCTION PF4, F2, PFKP EGFR 3489/4885TRPV1 3575/4885PIK3CD 113/4885
US-20150166506-A1 PYRIDONE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME PLPBP, PDXK, PNPO EGFR 2302/4885TRPV1 2334/4885PIK3CD 931/4885
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 EGFR 340/4885TRPV1 4147/4885PIK3CD 4175/4885

“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.