SCHEMBL86042

SCHEMBL86042

NC(=O)/C(=C1\Nc2ccc(NC(=O)[C@H]3CCCN3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
TGFBR1 P36897 1/20 0.43
ULK1 O75385 1/20 0.41
PSMB8 P28062 2/20 0.40
IKBKB O14920 2/20 0.39
CHUK O15111 1/20 0.39
SCN3A Q9NY46 3/20 0.39
SCN9A Q15858 3/20 0.39
SCN5A Q14524 1/20 0.38
JAK2 O60674 2/20 0.36
PDGFRB P09619 2/20 0.36
FLT3 P36888 2/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
RPS6KB1 P23443 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
FLT4 P35916 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL86197 1.00 KDR (0.43) KDRTGFBR1ULK1PSMB8IKBKB
SCHEMBL86044 0.88 BRAF (0.41) KDRTGFBR1RAF1
SCHEMBL76916 0.84 PARP1 (0.39) JAK2JAK3BUB1RAF1
SCHEMBL85793 0.84 PARP1 (0.39) JAK2JAK3BUB1RAF1
SCHEMBL76915 0.84 PARP1 (0.39) JAK2JAK3BUB1RAF1
SCHEMBL76954 0.83 PARP1 (0.39) KDRJAK2JAK3BUB1RAF1
SCHEMBL86072 0.83 PARP1 (0.39) KDRJAK2JAK3BUB1RAF1
SCHEMBL78166 0.83 PARP1 (0.39) KDRJAK2JAK3BUB1RAF1
SCHEMBL78051 0.83 PARP1 (0.39) KDRJAK2JAK3BUB1RAF1
SCHEMBL78165 0.83 PARP1 (0.39) KDRJAK2JAK3BUB1RAF1

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 KDR 615/4885TGFBR1 3765/4885ULK1 428/4885

“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.