SCHEMBL29936817

SCHEMBL29936817

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

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 14/20 0.50
CDK4 P11802 11/20 0.50
CCND1 P24385 2/20 0.50
CCND3 P30281 1/20 0.50
CDK2 P24941 8/20 0.48
EGFR P00533 1/20 0.47
ALK Q9UM73 2/20 0.46
DYRK2 Q92630 2/20 0.45
PIK3CD O00329 1/20 0.45
CSF1R P07333 1/20 0.45
CDK1 P06493 1/20 0.45
CDK9 P50750 1/20 0.45

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
SCHEMBL22650584 1.00 CDK6 (0.50) CDK6CDK4CCND1CCND3CDK2
SCHEMBL21122400 0.88 CDK4 (0.65) CDK6CDK4CCND1CCND3CDK2
SCHEMBL22650636 0.87 CDK4 (0.64) CDK6CDK4CCND1CCND3CDK2
SCHEMBL29936656 0.85 CDK4 (0.46) CDK6CDK4CCND1CCND3CDK2
SCHEMBL31590617 0.85 CDK4 (0.46) CDK6CDK4CCND1CCND3CDK2
SCHEMBL22650587 0.85 CDK6 (0.62) CDK6CDK4CCND1CCND3CDK2
SCHEMBL22650610 0.83 CDK6 (0.61) CDK6CDK4CCND1CCND3CDK2
SCHEMBL22650512 0.82 CDK6 (0.50) CDK6CDK4CCND1CCND3CDK2
SCHEMBL17489104 0.82 CDK4 (0.70) CDK6CDK4CCND1CCND3CDK2
SCHEMBL22650950 0.81 CDK4 (0.48) CDK6CDK4CCND1CCND3CDK2

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 CDK6 3/4885CDK4 10/4885CCND1 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.