SCHEMBL31106959

SCHEMBL31106959

C[C@H]1COCCN1c1nc(C#C[Si](C)(C)C)nc2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.52
PIK3R1 P27986 13/20 0.47
PIK3CA P42336 13/20 0.47
ATR Q13535 5/20 0.44

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
SCHEMBL31106973 1.00 MTOR (0.52) MTORPIK3R1PIK3CAATR
SCHEMBL24955680 0.89 MTOR (0.54) MTORPIK3R1PIK3CAATR
SCHEMBL24955675 0.89 MTOR (0.54) MTORPIK3R1PIK3CAATR
SCHEMBL442685 0.85 MTOR (0.55) MTORPIK3R1PIK3CAATR
SCHEMBL31107005 0.85 MTOR (0.55) MTORPIK3R1PIK3CAATR
SCHEMBL24955630 0.85 MTOR (0.55) MTORPIK3R1PIK3CAATR
SCHEMBL412512 0.85 MTOR (0.55) MTORPIK3R1PIK3CAATR
SCHEMBL31106956 0.85 MTOR (0.56) MTORPIK3R1PIK3CA
SCHEMBL24955554 0.81 MTOR (0.49) MTORPIK3R1PIK3CAATR
SCHEMBL24955553 0.81 MTOR (0.49) MTORPIK3R1PIK3CAATR

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 777/4885PIK3R1 3654/4885PIK3CA 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.