SCHEMBL30202075

SCHEMBL30202075

Cn1cc(-c2ccccc2)nc1C#Cc1nc(N2C[C@H]3COC[C@H]3C2)c2cnn(C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.37
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
EIF2AK2 P19525 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30
HRH1 P35367 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL24956792 0.91 PDE10A (0.35) PDE10APIK3CAMTOR
SCHEMBL30202077 0.91 PDE10A (0.35) PDE10APIK3CAMTOR
SCHEMBL24956794 0.90 PDE10A (0.37) PDE10APIK3CAMTOR
SCHEMBL24956793 0.90 MTOR (0.41) PDE10APIK3CAMTOR
SCHEMBL30202391 0.88 PDE10A (0.35) PDE10APIK3CAMTOR
SCHEMBL24955834 0.86 MEN1 (0.43) PDE10APIK3CAMTOREIF2AK2SMN1; SMN2
SCHEMBL24955656 0.84 DGAT1 (0.38) PDE10APIK3CAMTORBCDIN3D
SCHEMBL30202159 0.84 PDE10A (0.37) PDE10ABCDIN3DATAD2EIF2AK2HRH1
SCHEMBL24955757 0.83 EIF2AK2 (0.36) PIK3CAMTORBCDIN3DATAD2EIF2AK2
SCHEMBL24955686 0.83 PDE10A (0.38) PDE10APIK3CACHRNB2CHRNA7CHRNA4

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 5 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

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 PDE10A 733/4885PIK3CA 2011/4885MTOR 777/4885

“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.