SCHEMBL4298079

SCHEMBL4298079

CCOc1nc(N)c2ncn(C)c2n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.57
▸ ADORA2A P29274 7/20 0.51
▸ ADORA2B P29275 5/20 0.51
▸ ADORA1 P30542 3/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ CCNB1 P14635 2/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ YTHDC1 Q96MU7 1/20 0.40

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
SCHEMBL23982233 0.83 CDK1 (0.60) CDK1ADORA2AADORA2BADORA1CCNB1
SCHEMBL19553504 0.78 ADORA2A (0.52) CDK1ADORA2AADORA2BADORA1ADORA3
SCHEMBL5160241 0.78 ADORA2A (0.56) CDK1ADORA2AADORA2BADORA1ADORA3
SCHEMBL12417532 0.77 CDK1 (0.60) CDK1ADORA2AADORA2BADORA1CCNB1
SCHEMBL5160396 0.77 ADORA2A (0.57) CDK1ADORA2AADORA2BADORA1ADORA3
SCHEMBL15756748 0.76 ADORA2A (0.52) CDK1ADORA2AADORA2BADORA1
SCHEMBL22349417 0.76 ADORA2A (0.57) CDK1ADORA2AADORA2BADORA1ADORA3
SCHEMBL129642 0.75 CDK1 (0.68) CDK1ADORA2AADORA1CCNB1CCNE1
SCHEMBL15756525 0.75 CDK1 (0.50) CDK1ADORA2AADORA2BADORA1CCNE1
SCHEMBL11370037 0.75 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 — — 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 CDK1 3035/4885ADORA2A 33/4885ADORA2B 46/4885

“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.

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