SCHEMBL31106985

SCHEMBL31106985

Clc1nc(N2C[C@H]3COC[C@H]3C2)c2cnn(C3COC3)c2n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
NT5E P21589 2/20 0.36
PIK3CA P42336 16/20 0.35
MTOR P42345 16/20 0.35
PIK3CG P48736 4/20 0.35
LRRK2 Q5S007 1/20 0.34
MAPK14 Q16539 1/20 0.33
CSNK1G1 Q9HCP0 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
SCHEMBL24955763 1.00 CNR2 (0.38) CNR2NT5EPIK3CAMTORPIK3CG
SCHEMBL31106958 0.83 PDE2A (0.46) PIK3CAMTOR
SCHEMBL24955621 0.83 PDE2A (0.46) PIK3CAMTOR
SCHEMBL31106981 0.81 CNR2 (0.36) CNR2PIK3CAMTORPIK3CGMAPK14
SCHEMBL24955674 0.81 CNR2 (0.36) CNR2PIK3CAMTORPIK3CGMAPK14
SCHEMBL24955764 0.81 CNR2 (0.35) CNR2PIK3CAMTOR
SCHEMBL31106977 0.81 CNR2 (0.35) CNR2PIK3CAMTOR
SCHEMBL24955626 0.80 PIK3CA (0.42) CNR2PIK3CAMTOR
SCHEMBL24955619 0.80 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL31106961 0.80 PIK3CA (0.42) CNR2PIK3CAMTOR

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 1522/4885NT5E 2980/4885PIK3CA 2011/4885

“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.