SCHEMBL78082

SCHEMBL78082

Nc1ccc(CCc2cccnc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.68
MAOB P27338 3/20 0.59
MAOA P21397 2/20 0.59
CYP2A6 P11509 1/20 0.58
GFER P55789 1/20 0.56
HRH1 P35367 2/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP19A1 P11511 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL29485692 0.85 CHRNA7 (0.74) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL724866 0.85 CHRNA7 (0.74) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL257969 0.84 CHRNA7 (0.57) CHRNA7CYP2A6CYP1A2CYP2D6CYP19A1
SCHEMBL8700016 0.83 CYP1A2 (0.66) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL7705277 0.81 CHRNA7 (0.63) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL29435901 0.81
SCHEMBL104220 0.81
SCHEMBL5066561 0.80 CHRNA7 (0.57) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL1773547 0.80 ESR1 (0.59) CHRNA7CYP2A6HRH1CYP1A2CYP2D6
SCHEMBL6176772 0.80 CHRNA7 (0.57) CHRNA7CYP2A6HRH1CYP1A2CYP2D6

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 4 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
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 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 CHRNA7 4098/4885MAOB 3886/4885MAOA 4064/4885

“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.