SCHEMBL77158

SCHEMBL77158

NC(=O)C(=C1Nc2ccc(CCN3CCS(=O)(=O)CC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.34
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
JAK1 P23458 1/20 0.32
ABCC1 P33527 3/20 0.32
CYP3A4 P08684 3/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
GRM2 Q14416 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL86057 1.00 FGFR1 (0.34) FGFR1IKBKETBK1JAK1ABCC1
SCHEMBL86069 0.90 ABCC1 (0.34) IKBKETBK1ABCC1CYP3A4HRH3
SCHEMBL78085 0.90 CYP3A4 (0.38) FGFR1ABCC1CYP3A4HRH3
SCHEMBL85812 0.90 SCN10A (0.33) IKBKETBK1ABCC1CYP3A4HRH3
SCHEMBL85807 0.90 CYP3A4 (0.38) FGFR1ABCC1CYP3A4HRH3
SCHEMBL86474 0.85 TBK1 (0.43) IKBKETBK1GRM2
SCHEMBL86055 0.82 HMOX1 (0.36) CYP3A4ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL77685 0.82 HMOX1 (0.36) CYP3A4ALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL86060 0.82 ICAM1 (0.37) IKBKETBK1GRM2
SCHEMBL86100 0.81 SYK (0.40) IKBKETBK1GRM2

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 FGFR1 707/4885IKBKE 224/4885TBK1 375/4885

“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.