SCHEMBL22010446

SCHEMBL22010446

Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCS(C)(C)C)C5)ncc3F)cc2n1C(C)C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.85
CDK2 P24941 18/20 0.85
CDK6 Q00534 18/20 0.85
CDK1 P06493 10/20 0.85
CCNB1 P14635 5/20 0.85
CCNE1 P24864 5/20 0.85
CDK7 P50613 7/20 0.84
CDK9 P50750 7/20 0.84
CDK5 Q00535 4/20 0.82
CCNA2 P20248 4/20 0.82
CCND3 P30281 4/20 0.82
CHEK1 O14757 1/20 0.82
CCNT1 O60563 1/20 0.82
JAK2 O60674 1/20 0.82
CHEK2 O96017 1/20 0.82
EGFR P00533 1/20 0.82
RAF1 P04049 1/20 0.82
NTRK1 P04629 1/20 0.82
PDGFRB P09619 1/20 0.82
SRC P12931 1/20 0.82

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
SCHEMBL17485308 0.94 CDK4 (0.83) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19088976 0.94 CDK4 (0.83) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19089031 0.93 CDK4 (0.85) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19089096 0.93 CDK4 (0.81) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19089098 0.92 CDK4 (0.91) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL17485310 0.92 CDK4 (1.00) CDK4CDK2CDK6CDK1CCNB1
Hydrochloric Acid SCHEMBL20548753 0.91 CDK4 (0.90) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL17477267 0.91 CDK4 (1.00) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19089002 0.91 CDK4 (0.88) CDK4CDK2CDK6CDK1CCNB1
SCHEMBL19089009 0.91 CDK4 (1.00) CDK4CDK2CDK6CDK1CCNB1

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 93/4885CDK2 112/4885CDK6 129/4885
US-10662186-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK6, CDK4, CCNI CDK4 2/4885CDK2 6/4885CDK6 1/4885
US-10988476-B2 Substituted pyrimidines as cyclin-dependent kinase inhibitors CDK1, CCNI, CDK2 CDK4 5/4885CDK2 3/4885CDK6 9/4885

“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.