SCHEMBL5624950

SCHEMBL5624950

CCCn1c(Cn2ccnc2-c2ccccc2C#N)nc2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
GRM2 Q14416 2/20 0.36
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 1/20 0.34
PIP4K2A P48426 1/20 0.34
BRD4 O60885 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
USP2 O75604 1/20 0.32
PDE10A Q9Y233 1/20 0.32
PDE5A O76074 1/20 0.32
RPS6KA5 O75582 1/20 0.31

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
SCHEMBL5625197 0.85 PDE2A (0.45) GRM2TP53MEN1KMT2APKM
SCHEMBL3057359 0.83 PPARG (0.41) PPARGTP53BRD4TSHRPDE10A
SCHEMBL3059860 0.76 CTSS (0.38) GRM2TP53MEN1KMT2APKM
SCHEMBL3060150 0.75 TP53 (0.47) GRM2TP53MEN1KMT2APKM
SCHEMBL3065554 0.74 RPS6KA5 (0.42) GRM2MEN1KMT2APKMBRD4
SCHEMBL3057721 0.73 S1PR1 (0.35) GRM2TP53BRD4RPS6KA5
SCHEMBL3049980 0.72 CYP3A4 (0.35) TP53PKMBRD4CYP3A4RPS6KA5
SCHEMBL5630165 0.72 AOC2 (0.42) GRM2TP53BRD4RPS6KA5
SCHEMBL3055661 0.72 PTGER4 (0.38) TP53MEN1KMT2APKM
SCHEMBL14368292 0.71 RPS6KA5 (0.38) GRM2TP53MEN1KMT2APKM

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 PPARG 409/4885GRM2 217/4885TP53 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.