SCHEMBL21078510

SCHEMBL21078510

CCOC(=O)Nc1ncnc2c1ncn2C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 12/20 0.56
▸ CDK1 P06493 12/20 0.56
▸ CCNB1 P14635 12/20 0.56
▸ CCNB3 Q8WWL7 12/20 0.56
▸ CDK2 P24941 2/20 0.50
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ PI4KA P42356 1/20 0.46
▸ PI4K2B Q8TCG2 1/20 0.46
▸ PI4K2A Q9BTU6 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ CDK5 Q00535 6/20 0.43
▸ CDK5R1 Q15078 6/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43

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
SCHEMBL21078511 0.85 CCNB2 (0.46) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL21078636 0.82 CCNB2 (0.50) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL21011224 0.81 CDK1 (0.60) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL19864855 0.76 CDK1 (0.60) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL26354839 0.76 CDK1 (0.72) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL2718523 0.75 CDK1 (0.59) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL29767914 0.74 ADORA2A (0.48) CCNB2CDK1CCNB1CCNB3ADORA2A
SCHEMBL18521194 0.73 CCNB2 (0.82) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL26199920 0.73 CDK1 (0.57) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL24946009 0.72 CDK1 (0.59) CCNB2CDK1CCNB1CCNB3CDK2

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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2019-06-06 — — 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-20190169221-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B CCNB2 3862/4885CDK1 2755/4885CCNB1 3739/4885

“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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