SCHEMBL20857291

SCHEMBL20857291

CCC(C)n1cnc2c(OC(C)(C)C)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.59
▸ ADORA2B P29275 3/20 0.59
▸ ADORA1 P30542 3/20 0.59
▸ CCNB2 O95067 7/20 0.40
▸ CDK1 P06493 7/20 0.40
▸ CCNB1 P14635 7/20 0.40
▸ CCNB3 Q8WWL7 7/20 0.40
▸ PI4KA P42356 2/20 0.40
▸ PI4K2B Q8TCG2 2/20 0.40
▸ PI4K2A Q9BTU6 2/20 0.40
▸ PI4KB Q9UBF8 2/20 0.40
▸ CDK2 P24941 1/20 0.37
▸ ADA P00813 4/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ CYP3A4 P08684 2/20 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
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL22459061 0.83 PI4KA (0.45) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL23867105 0.76 ADORA2A (0.69) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL233401 0.75 ADORA2A (1.00) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL240049 0.75 ADORA2A (1.00) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL22946798 0.75 ADORA2A (0.68) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL4572183 0.75 ADORA2A (1.00) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL20857248 0.74 ADORA1 (0.51) ADORA2AADORA1CDK1PI4KAPI4K2B
SCHEMBL22458547 0.73 PI4KA (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21943154 0.72 ADORA2A (0.64) ADORA2AADORA2BADORA1CCNB2CDK1
SCHEMBL19661692 0.72 ADORA2A (0.64) ADORA2AADORA2BADORA1CCNB2CDK1

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-10246480-B2 Compounds for the treatment of cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-04-02 — — 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-10246480-B2 Compounds for the treatment of cancer TP53, MYC, CDC73 ADORA2A 3844/4885ADORA2B 4297/4885ADORA1 4601/4885

“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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