SCHEMBL22004045

SCHEMBL22004045

C=C(c1ccc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)nc1)C1CCNC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.61
CDK2 P24941 17/20 0.61
CDK6 Q00534 17/20 0.61
CDK1 P06493 10/20 0.61
CDK9 P50750 7/20 0.61
CDK7 P50613 6/20 0.61
CDK5 Q00535 4/20 0.58
CCNB1 P14635 4/20 0.58
CCNE1 P24864 4/20 0.58
CCNA2 P20248 2/20 0.58
CCND3 P30281 2/20 0.58
CIT O14578 1/20 0.58
GAK O14976 1/20 0.58
DYRK3 O43781 1/20 0.58
CCNT1 O60563 1/20 0.58
STK16 O75716 1/20 0.58
CCNK O75909 1/20 0.58
STK10 O94804 1/20 0.58
PRKD3 O94806 1/20 0.58
ABCB11 O95342 1/20 0.58

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
SCHEMBL22003450 1.00 CDK4 (0.61) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22003461 1.00 CDK4 (0.61) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22003452 0.96 CDK4 (0.59) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22004881 0.96 CDK4 (0.59) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22003453 0.96 CDK4 (0.59) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22003477 0.95 CDK4 (0.63) CDK4CDK2CDK6CDK1CDK9
SCHEMBL17488858 0.89 CDK4 (0.62) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22004884 0.89 CDK4 (0.69) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22004880 0.88 CDK4 (0.57) CDK4CDK2CDK6CDK1CDK9
SCHEMBL22003392 0.87 CDK4 (0.61) CDK4CDK2CDK6CDK1CDK9

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 14/4885CDK2 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.