SCHEMBL76915

SCHEMBL76915

CN1CCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=C(C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.39
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
BUB1 O43683 1/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
RAF1 P04049 1/20 0.36
NR3C2 P08235 1/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RHOC P08134 1/20 0.35
RHOA P61586 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
SCHEMBL85793 1.00 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL76914 1.00 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL76916 1.00 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL85798 0.98 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL76954 0.98 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL78051 0.98 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL78166 0.98 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL76953 0.98 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL86072 0.98 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1
SCHEMBL86066 0.98 PARP1 (0.39) PARP1JAK2JAK3BUB1WNT1

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 2 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 claimed
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 claimed

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 PARP1 974/4885JAK2 133/4885JAK3 235/4885

“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.