Sugi Predict

Sugi Predict / Compounds / SCHEMBL691972

SCHEMBL691972

SCHEMBL691972

CN(C(=O)OC(C)(C)C)c1cccc(Nc2cc(Cl)ncn2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ FGFR4 P22455 1/20 0.43
▸ BRD4 O60885 1/20 0.40
▸ EGFR P00533 8/20 0.40
▸ ERBB3 P21860 2/20 0.40
▸ CYP3A4 P08684 2/20 0.39
▸ FGFR3 P22607 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LCK P06239 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ CDK1 P06493 1/20 0.38
▸ KAT8 Q9H7Z6 1/20 0.38
▸ SRC P12931 1/20 0.37
▸ TNNI3K Q59H18 2/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL690643 0.81 CDK1 (0.49) NPC1FGFR4BRD4EGFRERBB3
SCHEMBL691488 0.80 CDK1 (0.48) NPC1FGFR4BRD4EGFRERBB3
SCHEMBL14558182 0.78 NPC1 (0.71) NPC1FGFR4EGFRERBB3CYP3A4
SCHEMBL27811315 0.76 BRD4 (0.49) BRD4KAT8
SCHEMBL6027974 0.75 NPC1 (0.40) NPC1FGFR4CYP2C9
SCHEMBL15828862 0.75 SYK (0.49) EGFR
SCHEMBL4664375 0.74 NPC1 (0.53) NPC1EGFRERBB3CDK1SRC
SCHEMBL18513515 0.74 MEN1 (0.49) BRD4CYP1A2
SCHEMBL29004748 0.73 HTR3E (0.51) NPC1BRD4CYP2C19
SCHEMBL30455057 0.73 HTR3E (0.51) NPC1BRD4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RES INC (US) 2016-10-27 — — US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 — — US disclosed
US-9393246-B2 4,6-disubstituted pyrimidines as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-07-19 — — US disclosed
US-9296704-B2 Substituted pyrimidines as protein kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 — — US disclosed
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2015-11-19 — — US disclosed
US-9040541-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2015-05-26 — — US disclosed
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2014-10-09 — — US disclosed
US-8748606-B2 4,6-diaminopyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2014-06-10 — — US disclosed
US-20130217688-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-08-22 — — US disclosed
US-8445498-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2013-05-21 — — US disclosed
EP-2421538-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2012-02-29 — — EP disclosed
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 — — US disclosed
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 — — US disclosed
US-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 — — US disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 — — WO disclosed
EP-2214486-A1 HETEROARYL COMPOUNDS AND USES THEREOF Avila Therapeutics, Inc. (US) 2010-08-11 — — EP disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 — — US disclosed
WO-2009051822-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-04-23 — — 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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20130217688-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 NPC1 48/4885FGFR4 2623/4885BRD4 1396/4885

“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.