SCHEMBL131550

SCHEMBL131550

[O]c1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.56
NR4A2 P43354 2/20 0.56
CYP2A6 P11509 2/20 0.56
F7 P08709 1/20 0.56
LTA4H P09960 1/20 0.56
F3 P13726 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
RAD51 Q06609 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 2/20 0.50
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
F2 P00734 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TRPA1 O75762 1/20 0.46
ITGB2 P05107 1/20 0.46

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
SCHEMBL275135 0.81 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL5850255 0.75 NPC1 (0.79) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL2530865 0.73 GPR84 (0.67) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL405311 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL74304 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL6017338 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL130519 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL228554 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL130518 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL18805065 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372334-A 2- (4-methionyl) anilino-4-amino-5-trifluoromethylpyrimidine derivatives and application thereof 贵州医科大学 2021-09-10 CN claimed
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2015-05-14 US claimed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 US claimed
US-8324205-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
US-RE43098-E1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-10 US claimed
US-8022071-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-20 US claimed
EP-1309568-B1 [(quinazolin-4-yl)piperazin-4-yl]thiocarboxamide compounds as inhibitors of the phosphorylation of a PDGF receptor MILLENNIUM PHARM INC (US) 2011-02-16 EP claimed
EP-2277877-A1 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-26 EP claimed
EP-1309569-B1 N-aryl-{4-[7-(alkoxy)quinazolin-4-yl]piperazinyl}carboxamide derivatives as PDGFRs inhibitors MILLENNIUM PHARM INC (US) 2010-10-06 EP claimed
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-06 US claimed
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-02-13 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020091130-A1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 US claimed
WO-2002036587-A2 PROCESS FOR THE PRODUCTION OF 4-QUINAZOLINYLPIPERAZIN-1-CARBOXYLIC ACID PHENYLAMIDES COR THERAPEUTICS, INC. (US) 2002-05-10 WO claimed
WO-2002016362-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO claimed
WO-2002016361-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO claimed
WO-2002016351-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS COR THERAPEUTICS, INC. (US) 2002-02-28 WO claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed

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-20020091130-A1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof NME1, NME2, TNNI3K AHR 3059/4885NR4A2 2665/4885CYP2A6 2048/4885
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 AHR 4106/4885NR4A2 2706/4885CYP2A6 4175/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 AHR 4106/4885NR4A2 2706/4885CYP2A6 4175/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP AHR 1321/4885NR4A2 816/4885CYP2A6 2117/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 AHR 4106/4885NR4A2 2706/4885CYP2A6 4175/4885
US-20030032644-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PCTP AHR 562/4885NR4A2 1704/4885CYP2A6 2654/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP AHR 1824/4885NR4A2 844/4885CYP2A6 3085/4885

“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.