SCHEMBL76508

SCHEMBL76508

N#CC(=C1Nc2ccc([N+](=O)[O-])cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.44
SNCA P37840 7/20 0.40
EGFR P00533 1/20 0.37
SGK1 O00141 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
RAF1 P04049 1/20 0.34
SRC P12931 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
BLK P51451 1/20 0.34
RPS6KA3 P51812 1/20 0.34
MAP2K6 P52564 1/20 0.34
MAPK10 P53779 1/20 0.34
CCNA1 P78396 1/20 0.34
MAPK14 Q16539 1/20 0.34
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL76507 1.00 NOX1 (0.44) NOX1SNCAEGFRSGK1ROCK2
SCHEMBL77183 0.84 NOX1 (0.45) NOX1SNCAPKMTDP1NPC1
SCHEMBL77184 0.84 NOX1 (0.45) NOX1SNCAPKMTDP1NPC1
SCHEMBL77856 0.83 SYK (0.39) SGK1ROCK2RPS6KA5RAF1SRC
SCHEMBL77857 0.83 SYK (0.39) SGK1ROCK2RPS6KA5RAF1SRC
SCHEMBL76753 0.71 CYP1A2 (0.41) NOX1EGFRNPC1RAB9AMEN1
SCHEMBL76754 0.71 CYP1A2 (0.41) NOX1EGFRNPC1RAB9AMEN1
SCHEMBL76472 0.68 SYK (0.41)
SCHEMBL78710 0.68 SYK (0.32) RAF1
SCHEMBL76473 0.68 SYK (0.41)

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 4 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
EP-2346856-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) 2011-07-27 EP 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 NOX1 2943/4885SNCA 4133/4885EGFR 554/4885

“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.