SCHEMBL86491

SCHEMBL86491

NC(=O)/C(=C1\Nc2ccc(N3CCC(N4CCCCC4)CC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 8/20 0.36
FLT1 P17948 7/20 0.36
HRH3 Q9Y5N1 2/20 0.34
PLK1 P53350 2/20 0.34
ABL1 P00519 3/20 0.34
BCR P11274 2/20 0.34
L3MBTL3 Q96JM7 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
NR1H3 Q13133 1/20 0.33
MBTD1 Q05BQ5 1/20 0.33
TP53BP1 Q12888 1/20 0.33
L3MBTL4 Q8NA19 1/20 0.33
KDR P35968 1/20 0.33
PARP1 P09874 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL86494 0.92 SCN9A (0.36) FGFR1
SCHEMBL86058 0.86 NR1H3 (0.36) HRH3NR1H3PARP1
SCHEMBL86087 0.85 PARP1 (0.37) HRH3PLK1ABL1NR1H3PARP1
SCHEMBL78710 0.77 SYK (0.32)
SCHEMBL78709 0.77 SYK (0.32)
SCHEMBL86189 0.76 SLC6A7 (0.37) ABL1BCR
SCHEMBL86032 0.76 SNCA (0.33)
SCHEMBL77867 0.76 SYK (0.37)
SCHEMBL77868 0.76 SYK (0.37)
SCHEMBL86089 0.75 LOXL2 (0.41) KDRPARP1

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 FGFR1 707/4885FLT1 1796/4885HRH3 2295/4885

“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.