SCHEMBL31106946

SCHEMBL31106946

Cn1cnc2c(Cl)nc(C#Cc3nc(-c4cccnc4)cn3COCC[Si](C)(C)C)nc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.35
TLR8 Q9NR97 1/20 0.33
MAPT P10636 1/20 0.33
CYP2E1 P05181 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2C19 P33261 2/20 0.32
PDE10A Q9Y233 2/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
TSPO P30536 1/20 0.30
ADORA1 P30542 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
SCHEMBL31106952 0.91 DGAT1 (0.39) DGAT1PDE10AADORA3TSPOADORA1
SCHEMBL31106965 0.85 DGAT1 (0.34) DGAT1
SCHEMBL24955728 0.85 DGAT1 (0.34) DGAT1
SCHEMBL31106953 0.82 MTOR (0.43)
SCHEMBL24955725 0.82 MTOR (0.43)
SCHEMBL31106989 0.82 MTOR (0.43)
SCHEMBL24955629 0.77 PIK3CA (0.39) DGAT1MAPTPDE10ACYP3A4
SCHEMBL24955726 0.76 DGAT1 (0.38) DGAT1
SCHEMBL31106972 0.76 DGAT1 (0.38) DGAT1
SCHEMBL30202197 0.75 CNR2 (0.36) 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 3630/4885TLR8 507/4885MAPT 9/4885

“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.