SCHEMBL86015

SCHEMBL86015

NC(=O)/C(=C1\Nc2ccccc2S1)c1nccc(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.40
KMO O15229 9/20 0.38
MAPK8 P45983 3/20 0.37
MAPK10 P53779 2/20 0.37
AURKA O14965 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PRKACA P17612 1/20 0.37
ADORA2A P29274 1/20 0.37
DUSP10 Q9Y6W6 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CCNA2 P20248 2/20 0.35
CDK2 P24941 2/20 0.35
CCNA1 P78396 2/20 0.35
SGK1 O00141 1/20 0.35
ROCK2 O75116 1/20 0.35
RPS6KA5 O75582 1/20 0.35
RAF1 P04049 1/20 0.35
SRC P12931 1/20 0.35

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
SCHEMBL76734 0.84 GAA (0.41) HIF1AMAPK8MAPK10NPC1RAB9A
SCHEMBL76733 0.84 GAA (0.41) HIF1AMAPK8MAPK10NPC1RAB9A
SCHEMBL86175 0.84 GAA (0.36) HIF1AMAPK8MAPK10NPC1RAB9A
SCHEMBL86170 0.82 GAA (0.37) HIF1AKMOMAPK8MAPK10NPC1
SCHEMBL86435 0.81 GAA (0.34) HIF1AMAPK8MAPK10HSP90AA1NPC1
SCHEMBL86440 0.76 GAA (0.41) HIF1ANPC1RAB9AKDM4EGAA
SCHEMBL77884 0.74 GAA (0.37) HIF1AMAPK8MAPK10NPC1RAB9A
SCHEMBL77885 0.74 GAA (0.37) HIF1AMAPK8MAPK10NPC1RAB9A
SCHEMBL86011 0.74 GAA (0.35) MAPK8MAPK10CCNA2CDK2CCNA1
SCHEMBL92860 0.73 NOX1 (0.40) HIF1AMAPK8MAPK10NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 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 (1 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 HIF1A 1994/4885KMO 1732/4885MAPK8 143/4885

“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.