SCHEMBL5630165

SCHEMBL5630165

CCCn1c(Cn2ccnc2-c2ccc3[nH]cnc3c2)nc2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.42
TP53 P04637 1/20 0.33
BRD4 O60885 1/20 0.33
AOC3 Q16853 2/20 0.32
NPY5R Q15761 1/20 0.32
GRM2 Q14416 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PDE6D O43924 1/20 0.30
QPCT Q16769 1/20 0.30
QPCTL Q9NXS2 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
PDE2A O00408 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
SCHEMBL3060482 0.83 TP53 (0.39) TP53BRD4QPCTL
SCHEMBL5625197 0.74 PDE2A (0.45) TP53BRD4GRM2PDE2A
SCHEMBL3049300 0.73 TP53 (0.39) TP53BRD4RPS6KA5
SCHEMBL3064280 0.72 CYP11B2 (0.48) AOC3RPS6KA5
SCHEMBL5624950 0.72 PPARG (0.42) TP53BRD4GRM2RPS6KA5
SCHEMBL3062910 0.71 GRIN2B (0.42)
SCHEMBL3065554 0.71 RPS6KA5 (0.42) AOC2BRD4NPY5RGRM2RPS6KA5
SCHEMBL3072991 0.70 GRM2 (0.47) TP53GRM2PDE6D
SCHEMBL3062898 0.70 GRM5 (0.43) TP53BRD4GRM2PDE2A
SCHEMBL3065442 0.70 AGTR1 (0.39) TP53GRM2RPS6KA5PDE6D

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-7300945-B2 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION (US) 2007-11-27 US disclosed
US-20060025425-A1 Benzimidazole and pyridylimidazole derivatives NEUROGEN CORPORATION 2006-02-02 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-20060025425-A1 Benzimidazole and pyridylimidazole derivatives GABBR1, GABBR2, GABRA2 AOC2 1137/4885TP53 4833/4885BRD4 138/4885

“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.