SCHEMBL31106984

SCHEMBL31106984

C[C@H]1COCCN1c1nc(C#Cc2nc(-c3ccccc3)cn2COCC[Si](C)(C)C)nc2c1ncn2C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
KCNH2 Q12809 1/20 0.37
ATR Q13535 3/20 0.36
ATRIP Q8WXE1 1/20 0.36
CHEK1 O14757 1/20 0.36
DGAT1 O75907 1/20 0.35

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
SCHEMBL31106944 1.00 MTOR (0.44) MTORPIK3CDPIK3CAKCNH2ATR
SCHEMBL24955727 1.00 MTOR (0.44) MTORPIK3CDPIK3CAKCNH2ATR
SCHEMBL31106953 0.93 MTOR (0.43) MTORPIK3CDPIK3CAATRATRIP
SCHEMBL24955725 0.93 MTOR (0.43) MTORPIK3CDPIK3CAATRATRIP
SCHEMBL31106989 0.93 MTOR (0.43) MTORPIK3CDPIK3CAATRATRIP
SCHEMBL24955629 0.88 PIK3CA (0.39) MTORPIK3CADGAT1
SCHEMBL30202168 0.86 MTOR (0.49) MTORPIK3CDPIK3CAKCNH2ATR
SCHEMBL30202248 0.86 MTOR (0.49) MTORPIK3CDPIK3CAKCNH2ATR
SCHEMBL24955726 0.85 DGAT1 (0.38) DGAT1
SCHEMBL31106972 0.85 DGAT1 (0.38) DGAT1

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.