SCHEMBL31106979

SCHEMBL31106979

C#Cc1nc(Cl)c2ncn(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 5/20 0.46
YTHDC1 Q96MU7 2/20 0.44
ADORA1 P30542 2/20 0.35
ADORA2A P29274 1/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CCNB1 P14635 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TSPO P30536 1/20 0.34
CCNE2 O96020 1/20 0.33

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
SCHEMBL24954186 1.00 CDK1 (0.46) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL12417531 0.80 CDK1 (0.58) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL31106949 0.80 CDK1 (0.43) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL24954144 0.80 CDK1 (0.43) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL29426225 0.77 CDK1 (0.68) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL183035 0.77 CDK1 (0.68) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL381511 0.76 CDK1 (0.40) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL7289687 0.75 CDK1 (0.51) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL381898 0.75 CDK1 (0.43) CDK1YTHDC1ADORA1ADORA2ACCNE1
SCHEMBL764036 0.74 CDK1 (0.59) CDK1YTHDC1ADORA1ADORA2ACCNE1

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 CDK1 2133/4885YTHDC1 4775/4885ADORA1 2488/4885

“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.