SCHEMBL31106981

SCHEMBL31106981

C#Cc1nc(N2C[C@H]3COC[C@H]3C2)c2cnn(C3COC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
PIK3CA P42336 18/20 0.33
MTOR P42345 18/20 0.33
PIK3CG P48736 2/20 0.33
MAPK14 Q16539 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
SMG1 Q96Q15 1/20 0.31

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
SCHEMBL24955674 1.00 CNR2 (0.36) CNR2PIK3CAMTORPIK3CGMAPK14
SCHEMBL31106996 0.85 CNR2 (0.37) CNR2PIK3CAMTORPIK3CGMAPK14
SCHEMBL31106943 0.84 HRH1 (0.38) PIK3CAMTOR
SCHEMBL24955655 0.84 HRH1 (0.38) PIK3CAMTOR
SCHEMBL24955665 0.82 ADORA2A (0.35) CNR2PIK3CAMTOR
SCHEMBL24955763 0.81 CNR2 (0.38) CNR2PIK3CAMTORPIK3CGMAPK14
SCHEMBL31106985 0.81 CNR2 (0.38) CNR2PIK3CAMTORPIK3CGMAPK14
SCHEMBL24955660 0.81 MTOR (0.40) PIK3CAMTOR
SCHEMBL24955664 0.81 PIK3CA (0.40) PIK3CAMTOR
SCHEMBL31106993 0.81 PIK3CA (0.40) PIK3CAMTOR

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 2011/4885MTOR 777/4885

“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.