SCHEMBL31106989

SCHEMBL31106989

C[C@@H]1COCCN1c1nc(C#Cc2nc(-c3cccnc3)cn2COCC[Si](C)(C)C)nc2c1ncn2C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 13/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
ATR Q13535 8/20 0.37
CHEK1 O14757 3/20 0.37
ATRIP Q8WXE1 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ATM Q13315 1/20 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
SCHEMBL31106953 1.00 MTOR (0.43) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL24955725 1.00 MTOR (0.43) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL31106944 0.93 MTOR (0.44) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL24955727 0.93 MTOR (0.44) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL31106984 0.93 MTOR (0.44) MTORPIK3CDPIK3CAATRCHEK1
SCHEMBL24955728 0.86 DGAT1 (0.34) MTORPIK3CA
SCHEMBL31106965 0.86 DGAT1 (0.34) MTORPIK3CA
SCHEMBL31106946 0.82 DGAT1 (0.35)
SCHEMBL24955629 0.81 PIK3CA (0.39) MTORPIK3CA
SCHEMBL30202168 0.78 MTOR (0.49) MTORPIK3CDPIK3CAATRCHEK1

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 MTOR 777/4885PIK3CD 1550/4885PIK3CA 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.