SCHEMBL31106961

SCHEMBL31106961

CC(C)n1ncc2c(N3C[C@H]4COC[C@H]4C3)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
PDE9A O76083 9/20 0.34
PDE1C Q14123 2/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE2A O00408 1/20 0.31
CARM1 Q86X55 1/20 0.31
CNR2 P34972 1/20 0.31
PLK4 O00444 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
SCHEMBL24955626 1.00 PIK3CA (0.42) PIK3CAMTORKDM4EKMT2APDE9A
SCHEMBL31106958 0.84 PDE2A (0.46) PIK3CAMTORKMT2APDE2A
SCHEMBL24955621 0.84 PDE2A (0.46) PIK3CAMTORKMT2APDE2A
SCHEMBL31106993 0.82 PIK3CA (0.40) PIK3CAMTORKDM4EKMT2APDE9A
SCHEMBL24955664 0.82 PIK3CA (0.40) PIK3CAMTORKDM4EKMT2APDE9A
SCHEMBL16058862 0.81 SMN1; SMN2 (0.47) PIK3CAMTORKMT2APDE9ASMN1; SMN2
SCHEMBL24954192 0.81 PIK3CA (0.39) PIK3CAMTORKDM4EKMT2APDE9A
SCHEMBL24955619 0.81 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL31106974 0.81 PIK3CA (0.42) PIK3CAMTOR
SCHEMBL24955763 0.80 CNR2 (0.38) PIK3CAMTORCNR2

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 PIK3CA 2011/4885MTOR 777/4885KDM4E 3494/4885

“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.