SCHEMBL29936716

SCHEMBL29936716

CC(C)c1cnn2ccc(-c3ccnc(Nc4ccc(N5CC(NC(=O)OC(C)(C)C)CC5=O)cn4)n3)cc12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 1/20 0.37
CDK4 P11802 18/20 0.37
CDK1 P06493 5/20 0.37
CCNB1 P14635 2/20 0.37
CCND1 P24385 2/20 0.37
CDK6 Q00534 1/20 0.37
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
BTK Q06187 1/20 0.34

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
SCHEMBL22650831 0.84 CDK4 (0.41) CDK4CDK1CCNB1CCND1CDK6
SCHEMBL31589956 0.83 CDK4 (0.38) DYRK2CDK4CDK1CCNB1CCND1
SCHEMBL29491149 0.83 CDK4 (0.38) DYRK2CDK4CDK1CCNB1CCND1
SCHEMBL22650838 0.83 CDK4 (0.41) CDK4CDK1CCNB1CCND1CDK6
SCHEMBL22650837 0.83 CDK4 (0.41) CDK4CDK1CCNB1CCND1CDK6
SCHEMBL22650835 0.83 CDK4 (0.41) CDK4CDK1CCNB1CCND1CDK6
SCHEMBL29491156 0.83 CDK4 (0.41) CDK4CDK1CCNB1CCND1CDK6
SCHEMBL31590654 0.82 DYRK2 (0.42) DYRK2CDK4CDK1CCNB1CCND1
SCHEMBL29936584 0.82 DYRK2 (0.42) DYRK2CDK4CDK1CCNB1CCND1
SCHEMBL22650594 0.82 CDK4 (0.42) DYRK2CDK4CDK1CCNB1CCND1

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 DYRK2 869/4885CDK4 10/4885CDK1 7/4885

“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.