SCHEMBL86027

SCHEMBL86027

NC(=O)/C(=C1\Nc2ccccc2S1)c1nc(-c2cccnc2)cc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SGK1 O00141 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
RAF1 P04049 1/20 0.37
SRC P12931 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
BLK P51451 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAP2K6 P52564 1/20 0.37
MAPK10 P53779 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPK14 Q16539 1/20 0.37
HSD17B10 Q99714 1/20 0.35
HSP90AA1 P07900 2/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL92860 0.86 NOX1 (0.40) ALDH1A1SGK1ROCK2RPS6KA5RAF1
SCHEMBL86011 0.85 GAA (0.35) KDM4EALDH1A1SGK1ROCK2RPS6KA5
SCHEMBL85786 0.82 NOX1 (0.37) KDM4EALDH1A1HSD17B10HSP90AA1GAA
SCHEMBL86012 0.82 NOX1 (0.37) KDM4EALDH1A1SGK1ROCK2RPS6KA5
SCHEMBL76593 0.81 NOX1 (0.36) ALDH1A1SGK1ROCK2RPS6KA5RAF1
SCHEMBL85813 0.80 CYP11B1 (0.42) CYP11B2CYP11B1DYRK1A
SCHEMBL86170 0.79 GAA (0.37) KDM4EALDH1A1SGK1ROCK2RPS6KA5
SCHEMBL86431 0.79 GAA (0.38) KDM4EALDH1A1HSD17B10GAAMAPT
SCHEMBL86015 0.74 HIF1A (0.40) KDM4ESGK1ROCK2RPS6KA5RAF1
SCHEMBL86440 0.73 GAA (0.41) KDM4EALDH1A1HSD17B10GAAMAPT

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 KDM4E 939/4885ALDH1A1 1651/4885SGK1 326/4885

“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.