SCHEMBL690579

SCHEMBL690579

C=CC(=O)Nc1cccc(Nc2cc(Oc3ccc(OC)cc3)ncn2)n1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 5/20 0.59
FGFR4 P22455 3/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDR P35968 2/20 0.44
TNNI3K Q59H18 2/20 0.44
TGM2 P21980 1/20 0.44
RAF1 P04049 2/20 0.43
EGFR P00533 5/20 0.43
ERBB2 P04626 1/20 0.43
CTSC P53634 1/20 0.42
ERBB3 P21860 1/20 0.42

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
SCHEMBL690191 0.93 MAP2K7 (0.60) MAP2K7FGFR4EGFRERBB2CTSC
SCHEMBL12262347 0.91 MAP2K7 (0.57) MAP2K7KDRTNNI3KTGM2EGFR
SCHEMBL12262346 0.87 MAP2K7 (0.60) MAP2K7KDRTNNI3KEGFRERBB2
SCHEMBL2204357 0.82 MAP2K7 (0.51) MAP2K7NPC1RAB9AKDRTNNI3K
SCHEMBL12262374 0.81 MAP2K7 (0.54) MAP2K7KDREGFRERBB2CTSC
SCHEMBL12262344 0.80 EGFR (0.57) MAP2K7NPC1RAB9ATGM2EGFR
SCHEMBL2779747 0.78 MAP2K7 (0.44) MAP2K7NPC1RAB9AKDRTNNI3K
SCHEMBL12262577 0.78 MEN1 (0.47) MAP2K7NPC1RAB9AKDRTNNI3K
SCHEMBL2779749 0.78 ABL1 (0.41) MAP2K7NPC1RAB9AKDRTNNI3K
SCHEMBL12282888 0.77 EGFR (0.54) MAP2K7TGM2EGFRERBB2CTSC

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 58 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-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-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-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
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-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
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
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 (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-20160311780-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885FGFR4 2623/4885NPC1 48/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885FGFR4 2623/4885NPC1 48/4885
US-20160279127-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885FGFR4 2623/4885NPC1 48/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 MAP2K7 4438/4885FGFR4 2623/4885NPC1 48/4885

“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.