SCHEMBL22010242

SCHEMBL22010242

Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCNC5)ncc3F)cc2n1[C@H]1CC[C@H](C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 1.00
CDK6 Q00534 19/20 1.00
CDK2 P24941 18/20 1.00
CCND3 P30281 2/20 0.75
CDK1 P06493 6/20 0.72
CDK7 P50613 5/20 0.72
CDK9 P50750 5/20 0.72
CDK5 Q00535 4/20 0.72
CCNA2 P20248 1/20 0.69
CCNB1 P14635 1/20 0.65
CCNE1 P24864 1/20 0.65

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
SCHEMBL19089152 1.00 CDK4 (1.00) CDK4CDK6CDK2CCND3CDK1
SCHEMBL19089042 0.97 CDK4 (1.00) CDK4CDK6CDK2CCND3CDK1
SCHEMBL18288884 0.94 CDK4 (1.00) CDK4CDK6CDK2CCND3CDK1
SCHEMBL18288762 0.94 CDK4 (1.00) CDK4CDK6CDK2CCND3CDK1
SCHEMBL19089037 0.93 CDK4 (1.00) CDK4CDK6CDK2CCND3CDK1
SCHEMBL19089176 0.90 CDK4 (0.87) CDK4CDK6CDK2CCND3CDK1
SCHEMBL19089177 0.90 CDK4 (0.87) CDK4CDK6CDK2CCND3CDK1
SCHEMBL19089173 0.90 CDK4 (0.87) CDK4CDK6CDK2CCND3CDK1
SCHEMBL19089262 0.90 CDK4 (0.86) CDK4CDK6CDK2CCND3CDK1
SCHEMBL19089171 0.90 CDK4 (0.86) CDK4CDK6CDK2CCND3CDK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10988476-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2021-04-27 US disclosed
US-20200239470-A1 Substituted Pyrimidine Compound for Treating Cancer SHANGHAI PHARMACEUTICALS HOLDING CO LTD (CN) 2020-07-30 US disclosed
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 (3 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-20200239470-A1 Substituted Pyrimidine Compound for Treating Cancer DPYD, TYMP, TYMS CDK4 93/4885CDK6 129/4885CDK2 112/4885
US-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK6, CDK4, CCNI CDK4 2/4885CDK6 1/4885CDK2 6/4885
US-10988476-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK1, CCNI, CDK2 CDK4 5/4885CDK6 9/4885CDK2 3/4885

“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.