SCHEMBL31106952

SCHEMBL31106952

Cn1cnc2c(Cl)nc(C#Cc3nc(-c4ccccc4)cn3COCC[Si](C)(C)C)nc21

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.39
ADORA3 P0DMS8 1/20 0.35
TSPO P30536 1/20 0.35
ADORA1 P30542 1/20 0.35
ADORA2A P29274 2/20 0.34
CDK1 P06493 1/20 0.32
PDE10A Q9Y233 1/20 0.31
BRD4 O60885 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
SCHEMBL31106946 0.91 DGAT1 (0.35) DGAT1ADORA3TSPOADORA1PDE10A
SCHEMBL24955629 0.85 PIK3CA (0.39) DGAT1PDE10A
SCHEMBL31106972 0.84 DGAT1 (0.38) DGAT1ADORA2A
SCHEMBL24955726 0.84 DGAT1 (0.38) DGAT1ADORA2A
SCHEMBL30202197 0.83 CNR2 (0.36) DGAT1ADORA2A
SCHEMBL31106982 0.81 PDE10A (0.44) ADORA3TSPOADORA1ADORA2ACDK1
SCHEMBL24955727 0.81 MTOR (0.44) DGAT1
SCHEMBL31106944 0.81 MTOR (0.44) DGAT1
SCHEMBL31106984 0.81 MTOR (0.44) DGAT1
SCHEMBL24955728 0.77 DGAT1 (0.34) DGAT1

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 DGAT1 3630/4885ADORA3 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.