SCHEMBL29936656

SCHEMBL29936656

COc1nc(-c2nc(Nc3ccc(N4CCN(C5CN(C(=O)OC(C)(C)C)C5)CC4=O)cn3)ncc2F)cc2c1nc(C)n2C(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.46
CDK6 Q00534 14/20 0.46
CCND1 P24385 1/20 0.46
CCND3 P30281 1/20 0.46
CDK2 P24941 13/20 0.44
CDK1 P06493 7/20 0.41
CCNB1 P14635 7/20 0.41
CCNE1 P24864 7/20 0.41
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40

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
SCHEMBL31590617 1.00 CDK4 (0.46) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650621 0.88 CDK4 (0.46) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650951 0.87 CDK4 (0.44) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650543 0.87 CDK4 (0.44) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650425 0.87 CDK4 (0.47) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650584 0.85 CDK6 (0.50) CDK4CDK6CCND1CCND3CDK2
SCHEMBL29936817 0.85 CDK6 (0.50) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650528 0.83 CDK4 (0.45) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650452 0.82 CDK4 (0.54) CDK4CDK6CCND1CCND3CDK2
SCHEMBL22650557 0.82 CDK4 (0.53) CDK4CDK6CCND1CCND3CDK2

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.