SCHEMBL13089698

SCHEMBL13089698

Cn1cc(Cl)c(-c2nccn2Cc2nc3cnccc3n2CCF)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 7/20 0.39
BRD4 O60885 7/20 0.37
DYRK1A Q13627 2/20 0.32
PDE2A O00408 1/20 0.32
KCNH2 Q12809 1/20 0.32
RPS6KB1 P23443 1/20 0.32
CDK2 P24941 1/20 0.32
ROCK1 Q13464 1/20 0.32
RPS6KA1 Q15418 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
SCHEMBL3060402 0.82 BRD4 (0.37) BRD4
SCHEMBL3059559 0.76 GRIN1 (0.37) BRD4
SCHEMBL3049980 0.73 CYP3A4 (0.35) RPS6KA5BRD4
SCHEMBL3067519 0.73 GRM2 (0.39) RPS6KA5BRD4PDE2A
SCHEMBL3059480 0.73 TP53 (0.43) BRD4
SCHEMBL3057738 0.72 GRM2 (0.39) RPS6KA5BRD4DYRK1ARPS6KB1CDK2
SCHEMBL3404622 0.72 TSHR (0.38) RPS6KA5BRD4
SCHEMBL3050704 0.72 RPS6KA5 (0.41) RPS6KA5BRD4DYRK1ARPS6KB1CDK2
SCHEMBL3064975 0.71 BRD4 (0.39) RPS6KA5BRD4
SCHEMBL3061412 0.71 RPS6KA5 (0.48) RPS6KA5BRD4DYRK1ARPS6KB1CDK2

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 RPS6KA5 2860/4885BRD4 138/4885DYRK1A 1903/4885

“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.