SCHEMBL690598

SCHEMBL690598

C#Cc1cccc(Nc2cc(NC=CC(=O)Nc3ccccc3)ncn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.45
PIP4K2A P48426 4/20 0.44
PIP4K2B P78356 4/20 0.44
JAK3 P52333 1/20 0.44
ERBB3 P21860 3/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
CSNK2A1 P68400 2/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL690597 0.80 EGFR (0.69) EGFRJAK3
SCHEMBL12262248 0.79 EGFR (0.52) EGFRJAK3ERBB3AURKARPS6KB1
SCHEMBL690934 0.71 TNNI3K (0.54) EGFRERBB3AURKARPS6KB1
SCHEMBL27405011 0.71 LPAR2 (0.71)
SCHEMBL28117047 0.70 MMP1 (0.66) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL691538 0.69 EGFR (0.79) EGFRJAK3ERBB3
SCHEMBL27337230 0.69 FLT3 (0.45) EGFRJAK3ERBB3AURKARPS6KB1
SCHEMBL29331183 0.69 MEN1 (0.49) EGFRHDAC3HDAC1HDAC4HDAC7
SCHEMBL15436240 0.68 EGFR (0.62) EGFRJAK3ERBB3
SCHEMBL12517798 0.68 TNNI3K (0.79) EGFR

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 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20130217688-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885PIP4K2A 3115/4885PIP4K2B 2793/4885

“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.