SCHEMBL77981

SCHEMBL77981

CCN(CCCN1CCOCC1)C(=O)c1ccc2c(c1)NC(=C(C(N)=O)c1nccc(C(F)(F)F)n1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
OPRM1 P35372 6/20 0.38
SIGMAR1 Q99720 6/20 0.38
KCNH2 Q12809 3/20 0.38
PIK3CD O00329 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 1/20 0.35
TACR2 P21452 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
SYK P43405 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
MC4R P32245 1/20 0.33
TP53 P04637 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL86065 1.00 HRH3 (0.40) HRH3OPRM1SIGMAR1KCNH2PIK3CD
SCHEMBL86067 0.89 HRH3 (0.38) HRH3OPRM1SIGMAR1KCNH2PIK3CD
SCHEMBL86035 0.85 NAMPT (0.36) TP53PDGFRBKDR
SCHEMBL85984 0.84 KMT2A (0.50) MEN1RAB9AKMT2A
SCHEMBL76751 0.84 KMT2A (0.50) MEN1RAB9AKMT2A
SCHEMBL76750 0.84 KMT2A (0.50) MEN1RAB9AKMT2A
SCHEMBL86078 0.84 CD274 (0.47) MEN1RAB9AKMT2AHTR1A
Hydrochloric Acid SCHEMBL76600 0.84 KMT2A (0.49) MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL76599 0.84 KMT2A (0.49) MEN1RAB9AKMT2A
SCHEMBL86199 0.81 CYP3A4 (0.39) OPRM1SIGMAR1SYKHTR1APDGFRB

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 3 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
EP-2346856-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) 2011-07-27 EP 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 HRH3 2295/4885OPRM1 4327/4885SIGMAR1 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.