SCHEMBL21482571

SCHEMBL21482571

CC(=O)c1c(C)c2cnccc2n(C2CCCC2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 1/20 0.55
CDK4 P11802 16/20 0.51
CCND1 P24385 15/20 0.51
CCND3 P30281 9/20 0.51
CDK6 Q00534 6/20 0.51
CCND2 P30279 5/20 0.51
CDK2 P24941 4/20 0.46
FGFR1 P11362 3/20 0.46
CCNA2 P20248 3/20 0.46
FGFR2 P21802 3/20 0.46
FGFR4 P22455 3/20 0.46
FGFR3 P22607 3/20 0.46
CCNT1 O60563 3/20 0.46
CDK9 P50750 3/20 0.46
NUAK1 O60285 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CCNA1 P78396 1/20 0.46

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
SCHEMBL23488908 0.81 CDK4 (0.61) MEN1ALDH1A1KMT2ACDK4CCND1
SCHEMBL21460208 0.79 CDK4 (0.59) MEN1ALDH1A1KMT2ACDK4CCND1
SCHEMBL23846293 0.78 CDK4 (0.56) CDK4CCND1CCND3CDK6CCND2
SCHEMBL31018774 0.78 CDK4 (0.60) CDK4CCND1CCND3CDK6CCND2
SCHEMBL29333468 0.74 CDK4 (0.63) CDK4CCND1CCND3CDK6CCND2
SCHEMBL19294159 0.73 CDK4 (0.64) CDK4CCND1CCND3CDK6CCND2
SCHEMBL23913121 0.73 CDK4 (0.61) CDK4CCND1CCND3CDK6CCND2
SCHEMBL28404189 0.72 CDK4 (0.63) CDK4CCND1CCND3CDK6CCND2
SCHEMBL18788069 0.71 CDK4 (0.62) CDK4CCND1CCND3CDK6CCND2
SCHEMBL4833350 0.71 CDK4 (0.62) CDK4CCND1CCND3CDK6CCND2

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
WO-2021110122-A1 COMBINATION THERAPY OF CDK4/6 INHIBITOR 基石药业(苏州)有限公司 2021-06-10 WO disclosed
US-10676474-B2 1,6-naphthyridine derivatives as CDK4/6 inhibitor CSTONE PHARMACEUTICALS (KY) 2020-06-09 US disclosed
US-20190315745-A1 CDK4/6 INHIBITOR CSTONE PHARMACEUTICALS (KY) 2019-10-17 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-20190315745-A1 CDK4/6 INHIBITOR CDK4, CDK6, CDK2 MEN1 2378/4885ALDH1A1 1082/4885KMT2A 694/4885
US-10676474-B2 1,6-naphthyridine derivatives as CDK4/6 inhibitor CDK4, CDK6, CDK9 MEN1 1950/4885ALDH1A1 696/4885KMT2A 995/4885

“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.