SCHEMBL86013

SCHEMBL86013

NC(=O)/C(=C1\Nc2ccccc2S1)c1nc(OCCN2CCOCC2)cc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDR P35968 1/20 0.40
BCHE P06276 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
OPRM1 P35372 1/20 0.36
KCNH2 Q12809 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL86028 0.84 CYP1A2 (0.39) GAASMN1; SMN2BCHEKCNH2CASP7
SCHEMBL86103 0.80 CHUK (0.40) KDRBRAFMAPK14PDGFRBPDGFRA
SCHEMBL86208 0.80 SYK (0.40) KDRSIGMAR1OPRM1KCNH2BRAF
SCHEMBL86431 0.79 GAA (0.38) GAASMN1; SMN2
SCHEMBL92860 0.79 NOX1 (0.40) GAASMN1; SMN2BCHEMAPK14CNR1
SCHEMBL85815 0.77 EPHX2 (0.41)
SCHEMBL78085 0.75 CYP3A4 (0.38) SIGMAR1OPRM1IRAK4
SCHEMBL85807 0.75 CYP3A4 (0.38) SIGMAR1OPRM1IRAK4
SCHEMBL85786 0.75 NOX1 (0.37) GAASMN1; SMN2BCHECNR1
SCHEMBL86012 0.75 NOX1 (0.37) GAASMN1; SMN2BCHEMAPK14CNR1

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 GAA 2073/4885SMN1; SMN2 3379/4885KDR 615/4885

“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.