SCHEMBL12262446

SCHEMBL12262446

Nc1cccc(Nc2cc(Nc3ccc(Oc4ccccc4)cc3)ncn2)n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.64
SCN5A Q14524 6/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
EGFR P00533 4/20 0.50
ERBB3 P21860 4/20 0.50
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
KCNH2 Q12809 5/20 0.43
CDK4 P11802 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALPG P10696 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL12282880 0.91 SCN9A (0.52) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL690592 0.88 EGFR (0.55) SCN9AMEN1KMT2ARAB9ANPC1
SCHEMBL12262448 0.87 SCN9A (0.50) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL30046349 0.85 SCN9A (0.76) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL12262542 0.85 MEN1 (0.57) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL3487003 0.84 MEN1 (0.61) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL14769645 0.82 SCN9A (0.45) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL691344 0.82 MEN1 (0.59) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL691983 0.78 EGFR (0.48) SCN9ASCN5AMEN1KMT2ARAB9A
SCHEMBL691980 0.78 EGFR (0.48) SCN9ASCN5AMEN1KMT2ARAB9A

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 38 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-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-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-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-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-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. 2015-11-19 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-7982036-B2 4,6-disubstitued pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-07-19 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-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
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 (5 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 SCN9A 3665/4885SCN5A 1885/4885MEN1 606/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SCN9A 3665/4885SCN5A 1885/4885MEN1 606/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SCN9A 3665/4885SCN5A 1885/4885MEN1 606/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SCN9A 3665/4885SCN5A 1885/4885MEN1 606/4885
US-20150328223-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SCN9A 3665/4885SCN5A 1885/4885MEN1 606/4885

“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.