SCHEMBL690096

SCHEMBL690096

CN(C)CC=CC(=O)Nc1cccc(Nc2cc(Nc3ccc(Oc4ccccc4)cc3)ncn2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 9/20 0.72
PIP4K2B P78356 9/20 0.72
EGFR P00533 8/20 0.66
JAK3 P52333 2/20 0.66
ERBB2 P04626 2/20 0.66
ERBB4 Q15303 1/20 0.66
ITK Q08881 3/20 0.57
PIP4K2C Q8TBX8 1/20 0.56
PIKFYVE Q9Y2I7 1/20 0.56
BTK Q06187 2/20 0.50
CDK7 P50613 1/20 0.49
CCNH P51946 1/20 0.49
MNAT1 P51948 1/20 0.49
ERBB3 P21860 1/20 0.48
CDK4 P11802 1/20 0.48

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
SCHEMBL690095 1.00 PIP4K2A (0.72) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL691610 0.89 EGFR (0.64) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL691611 0.89 EGFR (0.64) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL690941 0.84 PIP4K2A (0.76) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL690942 0.84 PIP4K2A (0.76) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL17856990 0.84 PIP4K2A (0.68) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL13541425 0.83 PIP4K2A (0.52) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL14213727 0.82 PIP4K2A (0.51) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL12310575 0.82 PIP4K2A (0.70) PIP4K2APIP4K2BEGFRJAK3ERBB2
SCHEMBL691113 0.82 EGFR (0.67) EGFRJAK3ERBB2ITKBTK

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 20 patents. 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
US-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-14 US disclosed
US-8329901-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors CELGENE AVILOMICS RESEARCH, INC. (US) 2012-12-11 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20130065892-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20110224432-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20130217688-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20140303165-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 PIP4K2A 3115/4885PIP4K2B 2793/4885EGFR 1981/4885

“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.