SCHEMBL690536

SCHEMBL690536

C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc(Oc4ccccc4)cc3)ncn2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 2/20 0.69
EGFR P00533 10/20 0.62
BTK Q06187 8/20 0.62
KCNH2 Q12809 1/20 0.62
ERBB2 P04626 3/20 0.58
JAK3 P52333 1/20 0.56
TGM2 P21980 1/20 0.55
KDR P35968 3/20 0.53
TNNI3K Q59H18 3/20 0.53
BRAF P15056 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL691113 0.91 EGFR (0.67) MAP2K7EGFRBTKKCNH2ERBB2
SCHEMBL692807 0.90 EGFR (0.68) MAP2K7EGFRBTKKCNH2ERBB2
SCHEMBL12262347 0.85 MAP2K7 (0.57) MAP2K7EGFRBTKKCNH2ERBB2
SCHEMBL12262244 0.85 MAP2K7 (0.66) MAP2K7EGFRERBB2KDRTNNI3K
SCHEMBL690603 0.85 EGFR (0.58) MAP2K7EGFRBTKKCNH2ERBB2
SCHEMBL690318 0.84 TGM2 (0.71) MAP2K7EGFRBTKKCNH2ERBB2
SCHEMBL691538 0.84 EGFR (0.79) MAP2K7EGFRBTKKCNH2JAK3
SCHEMBL14769663 0.82 KDR (0.56) MAP2K7EGFRBTKKCNH2ERBB2
SCHEMBL30423295 0.82 EGFR (0.75) EGFRBTKKCNH2ERBB2JAK3
SCHEMBL28400978 0.82 EGFR (0.75) EGFRBTKKCNH2ERBB2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 US disclosed
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2016-09-29 US disclosed
US-9296704-B2 Substituted pyrimidines as protein kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9296704-B2 Substituted pyrimidines as protein kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-9296704-B2 Substituted pyrimidines as protein kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-29 US disclosed
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2014-10-09 US disclosed
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2014-10-09 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-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-15 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-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 US disclosed
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 US disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 WO disclosed
WO-2010123870-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-10-28 WO disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US 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 (4 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-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885EGFR 1981/4885BTK 594/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885EGFR 1981/4885BTK 594/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885EGFR 1981/4885BTK 594/4885
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885EGFR 1981/4885BTK 594/4885

“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.