SCHEMBL4037273

SCHEMBL4037273

c1ccc(COc2ccc3cncnc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
ALOX5 P09917 1/20 0.58
EGFR P00533 3/20 0.58
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
MAOB P27338 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
MAOA P21397 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47

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
SCHEMBL28049986 0.85 EGFR (0.55) CYP3A4EGFRHDAC6HDAC1HDAC5
SCHEMBL29831918 0.83 EGFR (0.59) CYP3A4EGFRNPC1RAB9AMAOB
SCHEMBL24124319 0.82 F2 (0.58) CYP3A4EGFRRAB9AMEN1KMT2A
SCHEMBL24124325 0.81 MEN1 (0.59) CYP3A4EGFRRAB9AMEN1KMT2A
SCHEMBL25920276 0.80 PPARA (0.48) CYP3A4EGFRRAB9AMAOBMEN1
SCHEMBL24124645 0.79 RAB9A (0.61) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1412056 0.78 ALOX5 (0.67) CYP3A4ALOX5NPC1RAB9AMAOB
SCHEMBL30125417 0.78 CYP3A4 (1.00) CYP3A4ALOX5NPC1RAB9AHDAC6
SCHEMBL841728 0.78 CYP3A4 (1.00) CYP3A4ALOX5NPC1RAB9AHDAC6
SCHEMBL24124769 0.78 F2 (0.53) EGFRRAB9AMEN1KMT2ACA12

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102603718-B Synthesis method of cediranib CHEMPROSPECT PHARMTECH CO LTD 2014-01-29 CN claimed
CN-104744446-B Heteroaryl compound and its application in drug 广东东阳光药业有限公司 2019-06-25 CN disclosed
CN-104098551-B Substituted quinazoline analog derivative as Ou Ruola kinase inhibitor 广东东阳光药业有限公司 2019-03-22 CN disclosed
CN-102503933-B Chemical method of producing quinazoline derivative ASTRAZENECA AB 2014-06-25 CN disclosed
CN-102532107-B 4-substituted aniline-7-substituted alcoxylhomopiperazine-quinazoline derivatives, and preparation method and application thereof TIANJIN INST PHARM RESEARCH 2014-03-12 CN disclosed
CN-102603718-B Synthesis method of cediranib CHEMPROSPECT PHARMTECH CO LTD 2014-01-29 CN disclosed
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
CN-100345844-C Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2007-10-31 CN disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
CN-1434821-A Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (2 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 CYP3A4 1087/4885ALOX5 4275/4885EGFR 4/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 CYP3A4 1781/4885ALOX5 4139/4885EGFR 2/4885

“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.