SCHEMBL691252

SCHEMBL691252

CN(C)C/C=C/C(=O)Nc1ncccc1Nc1cc(Nc2ccc(F)c(Cl)c2)ncn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.63
ERBB2 P04626 14/20 0.63
ERBB4 Q15303 2/20 0.63
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
EPHB6 O15197 1/20 0.51
RIPK2 O43353 1/20 0.51
STK10 O94804 1/20 0.51
ABL1 P00519 1/20 0.51
LCK P06239 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
CHRM2 P08172 1/20 0.51
MET P08581 1/20 0.51
HCK P08631 1/20 0.51
SRC P12931 1/20 0.51
PHKG2 P15735 1/20 0.51
ADRA2B P18089 1/20 0.51
ERBB3 P21860 1/20 0.51
AXL P30530 1/20 0.51

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
SCHEMBL691253 1.00 EGFR (0.63) EGFRERBB2ERBB4CITGAK
SCHEMBL691106 0.86 PIP4K2A (0.66) EGFRERBB2ERBB4PIP4K2APIP4K2B
SCHEMBL691105 0.86 PIP4K2A (0.66) EGFRERBB2ERBB4PIP4K2APIP4K2B
SCHEMBL690518 0.84 EGFR (0.61) EGFRERBB2ERBB4PIP4K2APIP4K2B
SCHEMBL690519 0.84 EGFR (0.61) EGFRERBB2ERBB4PIP4K2APIP4K2B
SCHEMBL12262319 0.83 EGFR (0.64) EGFRERBB2ERBB4PIP4K2APIP4K2B
SCHEMBL12262335 0.83 EGFR (0.59) EGFRERBB2ERBB4CITGAK
SCHEMBL691254 0.83 EGFR (0.59) EGFRERBB2ERBB4CITGAK
SCHEMBL12388419 0.81 EGFR (0.63) EGFRERBB2ERBB4CITGAK
SCHEMBL12262340 0.80 PIP4K2A (0.59) EGFRERBB2ERBB4PIP4K2APIP4K2B

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 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20130217688-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ERBB2 918/4885ERBB4 1903/4885

“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.