SCHEMBL31106971

SCHEMBL31106971

Cn1cnc2c(N3CC4(COC4)C3)nc(C#C[Si](C)(C)C)nc21

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.43
PIK3CA P42336 1/20 0.39
MAP3K12 Q12852 1/20 0.36
ADORA1 P30542 1/20 0.35
SYK P43405 2/20 0.35
CHRM4 P08173 2/20 0.34

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
SCHEMBL31106990 0.86 CNR2 (0.44) CNR2PIK3CAMAP3K12ADORA1SYK
SCHEMBL24955685 0.77 CNR2 (0.37) CNR2PIK3CAMAP3K12ADORA1SYK
SCHEMBL31106949 0.72 CDK1 (0.43) ADORA1
SCHEMBL24954144 0.72 CDK1 (0.43) ADORA1
SCHEMBL24956773 0.63 HRH1 (0.35) MAP3K12CHRM4
SCHEMBL24956778 0.62 HRH1 (0.38) CNR2PIK3CAMAP3K12CHRM4
SCHEMBL31014947 0.61 DYRK1A (0.32) CNR2
SCHEMBL13828313 0.59 PIK3CA (0.60) PIK3CAADORA1
SCHEMBL13828332 0.59 PIK3CA (0.71) PIK3CAADORA1
SCHEMBL24955551 0.59 PIK3CA (0.60) PIK3CAADORA1

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 CNR2 1522/4885PIK3CA 2011/4885MAP3K12 991/4885

“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.