SCHEMBL21078610

SCHEMBL21078610

C#C[C@H](O)[C@@](F)(CO)O[C@H](CO)n1cnc2c(NC(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.33
▸ CCNB2 O95067 2/20 0.31
▸ CDK1 P06493 2/20 0.31
▸ CCNB1 P14635 2/20 0.31
▸ CCNB3 Q8WWL7 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ MNAT1 P51948 1/20 0.31
▸ CCNE2 O96020 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CCNA1 P78396 1/20 0.30

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
SCHEMBL21078575 0.86 AURKA (0.32) —
SCHEMBL21078668 0.79 AHCY (0.51) AHCY
SCHEMBL21078636 0.74 CCNB2 (0.50) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL21078557 0.71 CDK1 (0.43) AHCYCDK1CCNB1CDK2MAPK1
SCHEMBL21078678 0.70 ADORA2A (0.46) —
SCHEMBL18671942 0.69 AHCY (0.51) AHCY
SCHEMBL12379187 0.69 YTHDC1 (0.54) CDK1
SCHEMBL21078500 0.68 AHCY (0.33) AHCY
SCHEMBL21078586 0.67 AHCY (0.48) AHCY
SCHEMBL24540240 0.66 TDP1 (0.42) —

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 AHCY 444/4885CCNB2 3862/4885CDK1 2755/4885

“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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