SCHEMBL22004032

SCHEMBL22004032

CCN1CCC2(CC1)CCN(C(C)c1ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc1)C2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.70
CDK6 Q00534 15/20 0.70
CDK1 P06493 14/20 0.70
CDK2 P24941 14/20 0.70
CCNB1 P14635 10/20 0.70
CCNE1 P24864 10/20 0.70
CDK9 P50750 8/20 0.70
CDK7 P50613 7/20 0.70
CCND3 P30281 4/20 0.70
CCNA2 P20248 3/20 0.70
CCNT1 O60563 3/20 0.70
CDK5 Q00535 3/20 0.70
EGFR P00533 2/20 0.70
NTRK1 P04629 2/20 0.70
BRAF P15056 2/20 0.70
KDR P35968 2/20 0.70
MAPK8 P45983 2/20 0.70
CCNH P51946 2/20 0.70
MNAT1 P51948 2/20 0.70
MAPK10 P53779 2/20 0.70

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
SCHEMBL22004033 1.00 CDK4 (0.70) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22004034 1.00 CDK4 (0.70) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22004026 0.96 CDK4 (0.71) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22004025 0.96 CDK4 (0.71) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22004027 0.96 CDK4 (0.71) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22003364 0.96 CDK4 (0.72) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22003363 0.96 CDK4 (0.72) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL22003362 0.96 CDK4 (0.72) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL17488787 0.92 CDK4 (0.78) CDK4CDK6CDK1CDK2CCNB1
SCHEMBL17488710 0.92 CDK4 (0.78) CDK4CDK6CDK1CDK2CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 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 (2 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-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CDK9, CDK7, CDK6 CDK4 14/4885CDK6 3/4885CDK1 5/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 CDK4 14/4885CDK6 3/4885CDK1 5/4885

“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.