SCHEMBL85807

SCHEMBL85807

NC(=O)/C(=C1\Nc2ccc(CCN3CCOCC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.38
ABCC1 P33527 5/20 0.38
SIGMAR1 Q99720 2/20 0.35
OPRM1 P35372 1/20 0.35
SYK P43405 2/20 0.35
FGFR1 P11362 1/20 0.33
CSF1R P07333 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
RAF1 P04049 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
AVPR1B P47901 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL78085 1.00 CYP3A4 (0.38) CYP3A4ABCC1SIGMAR1OPRM1SYK
SCHEMBL86100 0.92 SYK (0.40) SYK
SCHEMBL86069 0.91 ABCC1 (0.34) CYP3A4ABCC1HRH3
SCHEMBL85812 0.90 SCN10A (0.33) CYP3A4ABCC1SIGMAR1OPRM1HRH3
SCHEMBL86057 0.90 FGFR1 (0.34) CYP3A4ABCC1FGFR1HRH3
SCHEMBL77158 0.90 FGFR1 (0.34) CYP3A4ABCC1FGFR1HRH3
SCHEMBL86199 0.88 CYP3A4 (0.39) CYP3A4ABCC1SIGMAR1OPRM1SYK
SCHEMBL86071 0.87 KDM4E (0.40) KDM4E
SCHEMBL86093 0.87 L3MBTL1 (0.40) CYP3A4SYKABL1BCRRAF1
SCHEMBL86208 0.87 SYK (0.40) SIGMAR1OPRM1SYKKDM4E

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 CYP3A4 4232/4885ABCC1 2402/4885SIGMAR1 4019/4885

“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.