SCHEMBL30202052

SCHEMBL30202052

Cn1cc(-c2ccccc2)nc1C#Cc1nc2c(c(N3CCOCC3)n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.51
RAF1 P04049 2/20 0.45
BRAF P15056 2/20 0.45
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 6/20 0.37
GBA1 P04062 1/20 0.36
PIK3R1 P27986 5/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36

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
SCHEMBL24956799 1.00 MTOR (0.51) MTORRAF1BRAFPARP1TNKS2
SCHEMBL24955553 0.88 MTOR (0.49) MTORPIK3CAPIK3R1
SCHEMBL24955554 0.88 MTOR (0.49) MTORPIK3CAPIK3R1
SCHEMBL30202081 0.80 PDE10A (0.36) MTORPIK3CA
SCHEMBL24955777 0.80 PDE10A (0.36) MTORPIK3CA
SCHEMBL31106956 0.79 MTOR (0.56) MTORRAF1BRAFPARP1TNKS2
SCHEMBL24955545 0.79 PIK3R1 (0.42) MTORPIK3CAPIK3R1
SCHEMBL30202402 0.78 HTR2C (0.45) MTORRAF1BRAFPIK3CAPIK3R1
SCHEMBL24954159 0.78 HTR2C (0.45) MTORRAF1BRAFPIK3CAPIK3R1
SCHEMBL24956790 0.77 PIK3CA (0.42) MTORPIK3CDPIK3CAGBA1PIK3R1

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 3 patents. 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
EP-4377313-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE BenevolentAI Cambridge Limited (GB) 2024-06-05 EP disclosed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO 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 777/4885RAF1 3846/4885BRAF 2735/4885

“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.