SCHEMBL21078636

SCHEMBL21078636

CC(C)n1cnc2c(NC(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 11/20 0.50
▸ CDK1 P06493 11/20 0.50
▸ CCNB1 P14635 11/20 0.50
▸ CCNB3 Q8WWL7 11/20 0.50
▸ CDK2 P24941 5/20 0.47
▸ 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
▸ CCNA2 P20248 3/20 0.44
▸ CCNA1 P78396 3/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CCNE1 P24864 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ MAPK8 P45983 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 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
SCHEMBL12379187 0.83 YTHDC1 (0.54) CDK1ADORA2AADORA1
SCHEMBL21078510 0.82 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL21011224 0.81 CDK1 (0.60) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL21078678 0.80 ADORA2A (0.46) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL24540240 0.78 TDP1 (0.42) PI4KAPI4K2BPI4K2API4KB
SCHEMBL19864855 0.76 CDK1 (0.60) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13717456 0.75 NPSR1 (0.40) CDK1CDK2CCNA2CCNA1CCNE2
SCHEMBL2718523 0.75 CDK1 (0.59) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL18331391 0.75 CDK2 (0.48) CDK1CCNB1CDK2CCNA2CCNA1
SCHEMBL21078610 0.74 AHCY (0.33) 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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