SCHEMBL10309722

SCHEMBL10309722

CCCc1nc(N)c2ncn(Cc3ccc(C)nc3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ ADORA2A P29274 6/20 0.41
▸ ADORA1 P30542 5/20 0.41
▸ TMIGD3 P0DMS9 4/20 0.41
▸ ADORA2B P29275 3/20 0.41
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ TLR7 Q9NYK1 3/20 0.39
▸ PDE8A O60658 1/20 0.37

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
SCHEMBL2060257 0.84 CYP11B1 (0.41) PDE4APDE4BPDE4CPDE4D
SCHEMBL2060105 0.83 PDE8A (0.55) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL10309723 0.81 ADORA2A (0.44) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL23764069 0.79 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL13233224 0.78 CDK1 (0.69) PDE4APDE4BPDE4CPDE4DCDK1
SCHEMBL2060285 0.77 TLR7 (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7491638 0.77 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL2060288 0.77 CDK1 (0.58) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL6153383 0.76 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL23764023 0.76 TLR7 (0.46) PDE4APDE4BPDE4CPDE4DCDK1

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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 — — 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-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 PDE4A 1189/4885PDE4B 1624/4885PDE4C 2048/4885

“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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