SCHEMBL22010592

SCHEMBL22010592

CN[C@H](C)CN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C6CC6)c5c4)n3)ccc2C1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.86
CDK2 P24941 17/20 0.86
CDK6 Q00534 17/20 0.86
CDK1 P06493 9/20 0.83
CDK7 P50613 7/20 0.83
CDK9 P50750 7/20 0.83
CDK5 Q00535 7/20 0.83
CCNE1 P24864 3/20 0.77
CCNB1 P14635 2/20 0.77
CCNA2 P20248 3/20 0.77
CCND3 P30281 3/20 0.77

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
SCHEMBL19088974 0.92 CDK4 (1.00) CDK4CDK2CDK6CDK1CDK7
SCHEMBL19089015 0.92 CDK4 (1.00) CDK4CDK2CDK6CDK1CDK7
SCHEMBL19089020 0.91 CDK4 (1.00) CDK4CDK2CDK6CDK1CDK7
SCHEMBL19088980 0.91 CDK4 (1.00) CDK4CDK2CDK6CDK1CDK7
SCHEMBL18288763 0.90 CDK4 (0.83) CDK4CDK2CDK6CDK1CDK7
SCHEMBL18288951 0.90 CDK4 (0.83) CDK4CDK2CDK6CDK1CDK7
SCHEMBL19089203 0.89 CDK4 (1.00) CDK4CDK2CDK6CDK1CDK7
SCHEMBL19089093 0.88 CDK4 (0.75) CDK4CDK2CDK6CDK1CDK7
SCHEMBL19089040 0.88 CDK4 (1.00) CDK4CDK2CDK6CDK1CDK7
SCHEMBL20548964 0.87 CDK4 (0.86) CDK4CDK2CDK6CDK1CDK7

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-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-05-26 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-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK6, CDK4, CCNI CDK4 2/4885CDK2 6/4885CDK6 1/4885

“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.