SCHEMBL24955769

SCHEMBL24955769

C[C@H]1COCCN1c1nc(C#Cc2nc(-c3ccccc3)cn2C)nc2c1CCNC2

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.41
KCNH2 Q12809 2/20 0.37
PDE10A Q9Y233 2/20 0.37
ATR Q13535 2/20 0.35
LRRK2 Q5S007 1/20 0.35
PIK3C3 Q8NEB9 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
SCHEMBL30202126 1.00 MTOR (0.41) MTORKCNH2PDE10AATRLRRK2
SCHEMBL24954159 0.87 HTR2C (0.45) MTORPDE10ALRRK2
SCHEMBL30202402 0.87 HTR2C (0.45) MTORPDE10ALRRK2
SCHEMBL24955554 0.80 MTOR (0.49) MTORATR
SCHEMBL24955553 0.80 MTOR (0.49) MTORATR
SCHEMBL30202168 0.78 MTOR (0.49) MTORKCNH2PDE10AATR
SCHEMBL30202248 0.78 MTOR (0.49) MTORKCNH2PDE10AATR
SCHEMBL24955777 0.72 PDE10A (0.36) MTORPDE10ALRRK2
SCHEMBL30202081 0.72 PDE10A (0.36) MTORPDE10ALRRK2
SCHEMBL23493533 0.70 MTOR (0.42) MTORATRPIK3C3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377313-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE BenevolentAI Cambridge Limited (GB) 2024-06-05 EP claimed
WO-2023007185-A1 IMIDAZOLE ORGANIC COMPOUNDS AND THEIR USE AGAINST INFLAMMATORY BOWEL DISEASE Benevolentai Cambridge Limited (GB) 2023-02-02 WO claimed
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
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 777/4885KCNH2 1798/4885PDE10A 733/4885

“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.