SCHEMBL31106982

SCHEMBL31106982

Cn1cc(-c2ccccc2)nc1C#Cc1nc(Cl)c2ncn(C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.44
ADORA3 P0DMS8 1/20 0.41
TSPO P30536 1/20 0.41
ADORA1 P30542 1/20 0.41
CDK1 P06493 3/20 0.37
ADORA2A P29274 1/20 0.34
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33

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
SCHEMBL31106952 0.81 DGAT1 (0.39) PDE10AADORA3TSPOADORA1CDK1
SCHEMBL24955640 0.79 PIK3CA (0.47) PDE10AADORA1
SCHEMBL30202390 0.79 PDE10A (0.38) PDE10AADORA3TSPOADORA1
SCHEMBL24955686 0.79 PDE10A (0.38) PDE10AADORA3TSPOADORA1
SCHEMBL31106986 0.79 PDE10A (0.43) PDE10A
SCHEMBL30203054 0.77 CNR2 (0.38) PDE10AADORA1
SCHEMBL30202168 0.75 MTOR (0.49) PDE10A
SCHEMBL30202248 0.75 MTOR (0.49) PDE10A
SCHEMBL31106946 0.72 DGAT1 (0.35) PDE10AADORA3TSPOADORA1
SCHEMBL14843067 0.71 PDE10A (0.46) PDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2024-10-17 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-20240343729-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE SI, SLC10A2, NOS3 PDE10A 733/4885ADORA3 1646/4885TSPO 146/4885

“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.