SCHEMBL29936686

SCHEMBL29936686

Cc1nc2c(F)nc(-c3ccnc(Nc4ccc(N5CCCC(NC(=O)OC(C)(C)C)C5=O)cn4)n3)cc2n1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 15/20 0.40
CDK6 Q00534 14/20 0.40
CCND1 P24385 6/20 0.40
CDK1 P06493 5/20 0.40
CCNB1 P14635 5/20 0.40
EGFR P00533 5/20 0.38
CDK2 P24941 9/20 0.36
CCND3 P30281 5/20 0.36
CCNA2 P20248 2/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36
CCNE1 P24864 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL22650885 1.00 CDK4 (0.40) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL22650886 0.85 CDK4 (0.46) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL29491163 0.85 CDK4 (0.46) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL22650935 0.84 CDK4 (0.44) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL29491142 0.84 CDK4 (0.44) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL22635855 0.84 CDK4 (0.44) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL22650933 0.84 CDK4 (0.44) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL22650619 0.77 CDK4 (0.40) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL22650780 0.77 CDK4 (0.54) CDK4CDK6CCND1CDK1CCNB1
SCHEMBL22650575 0.75 CDK4 (0.57) CDK4CDK6CCND1CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 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 (1 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-20220296595-A1 CDK INHIBITORS CDKL1, CDK9, CDK6 CDK4 10/4885CDK6 3/4885CCND1 45/4885

“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.