SCHEMBL22003433

SCHEMBL22003433

CC(=C1CCN(C)CC1)c1ccc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)nc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.70
CDK2 P24941 15/20 0.70
CDK6 Q00534 15/20 0.70
CDK1 P06493 13/20 0.70
CDK7 P50613 7/20 0.70
CDK9 P50750 7/20 0.70
CCNB1 P14635 10/20 0.63
CCNE1 P24864 10/20 0.63
CCNA2 P20248 2/20 0.63
CCND3 P30281 2/20 0.63
CIT O14578 1/20 0.63
GAK O14976 1/20 0.63
DYRK3 O43781 1/20 0.63
CCNT1 O60563 1/20 0.63
STK16 O75716 1/20 0.63
CCNK O75909 1/20 0.63
STK10 O94804 1/20 0.63
PRKD3 O94806 1/20 0.63
ABCB11 O95342 1/20 0.63
MAP4K4 O95819 1/20 0.63

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
SCHEMBL21795791 0.92 CDK4 (0.73) CDK4CDK2CDK6CDK1CDK7
SCHEMBL22003435 0.92 CDK4 (0.67) CDK4CDK2CDK6CDK1CDK7
SCHEMBL22004884 0.86 CDK4 (0.69) CDK4CDK2CDK6CDK1CDK7
SCHEMBL22003462 0.85 CDK4 (0.67) CDK4CDK2CDK6CDK1CDK7
SCHEMBL17488854 0.85 CDK4 (0.71) CDK4CDK2CDK6CDK1CDK7
SCHEMBL22003546 0.85 CDK4 (0.73) CDK4CDK2CDK6CDK1CDK7
SCHEMBL17488861 0.85 CDK4 (0.63) CDK4CDK2CDK6CDK1CDK7
SCHEMBL22004093 0.84 CDK4 (0.70) CDK4CDK2CDK6CDK1CDK7
SCHEMBL22003438 0.84 CDK4 (0.71) CDK4CDK2CDK6CDK1CDK7
SCHEMBL17488798 0.84 CDK4 (0.65) 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 3 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
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP 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 14/4885CDK2 7/4885CDK6 3/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 CDK4 14/4885CDK2 7/4885CDK6 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.