SCHEMBL86474

SCHEMBL86474

CN1CCN(Cc2ccc3c(c2)S/C(=C(/C(N)=O)c2nccc(C(F)(F)F)n2)N3)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.43
IKBKE Q14164 5/20 0.43
ICAM1 P05362 5/20 0.38
KCNH2 Q12809 1/20 0.37
GRM2 Q14416 3/20 0.36
PDGFRB P09619 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3C2B O00750 1/20 0.35
RIOK3 O14730 1/20 0.35
DAPK3 O43293 1/20 0.35
PIP5K1C O60331 1/20 0.35
RPS6KA4 O75676 1/20 0.35
STK10 O94804 1/20 0.35
PRKD3 O94806 1/20 0.35
KIT P10721 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
GRK4 P32298 1/20 0.35
TIE1 P35590 1/20 0.35
FLT3 P36888 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
SCHEMBL86060 0.92 ICAM1 (0.37) TBK1IKBKEICAM1GRM2PDGFRB
SCHEMBL86100 0.91 SYK (0.40) TBK1IKBKEICAM1GRM2PDGFRB
SCHEMBL86087 0.86 PARP1 (0.37) TBK1IKBKEPLK1PARP1PTK2
SCHEMBL86104 0.86 SYK (0.40) TBK1IKBKEROCK1
SCHEMBL77158 0.85 FGFR1 (0.34) TBK1IKBKEGRM2
SCHEMBL86057 0.85 FGFR1 (0.34) TBK1IKBKEGRM2
SCHEMBL86083 0.85 HRH3 (0.39) ROCK1
SCHEMBL86069 0.85 ABCC1 (0.34) TBK1IKBKE
SCHEMBL85792 0.85 KCNH2 (0.41) TBK1IKBKEKCNH2
SCHEMBL85807 0.84 CYP3A4 (0.38)

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 TBK1 375/4885IKBKE 224/4885ICAM1 4801/4885

“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.