SCHEMBL13089466

SCHEMBL13089466

CCn1c(Cn2ccnc2-c2ncccc2F)nc2ccc(C(F)(F)F)nc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.34
TGFBR1 P36897 3/20 0.33
TP53 P04637 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CBFB Q13951 1/20 0.31
KCNK13 Q9HB14 1/20 0.30
PTGS2 P35354 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
SCHEMBL3068576 0.87 TP53 (0.38) TP53PDE10A
SCHEMBL13089471 0.86 GRM2 (0.35) GRM2TGFBR1
SCHEMBL3060545 0.84 PDE10A (0.33) PDE10A
SCHEMBL3050284 0.82 PDE2A (0.44) PDE10A
SCHEMBL3064745 0.80 TGFBR1 (0.38) GRM2TGFBR1TP53
SCHEMBL3054836 0.80 AGTR2 (0.34) GRM2
SCHEMBL3059639 0.79 CYP11B1 (0.40)
SCHEMBL3060632 0.79 TP53 (0.43) TP53PDE10A
SCHEMBL3050193 0.78 TP53 (0.39) GRM2TP53PDE10A
SCHEMBL3066024 0.77 RPS6KA5 (0.41) KCNK13

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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US disclosed
US-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives NEUROGEN CORPORATION 2010-10-21 US 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-20100267698-A1 Benzimidazole and Pyridylimidazole Derivatives GABBR1, GABBR2, GABRA2 GRM2 217/4885TGFBR1 1411/4885TP53 4833/4885

“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.