SCHEMBL22650831

SCHEMBL22650831

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.41
CCND1 P24385 12/20 0.41
CDK1 P06493 10/20 0.41
CCNB1 P14635 9/20 0.41
CDK6 Q00534 8/20 0.41
CCNA2 P20248 9/20 0.37
CDK2 P24941 8/20 0.37
CCNA1 P78396 6/20 0.37
CCND3 P30281 5/20 0.35
CCNE1 P24864 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 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
SCHEMBL22650453 0.92 CDK4 (0.42) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL22650594 0.86 CDK4 (0.42) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL22650837 0.86 CDK4 (0.41) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL29491156 0.86 CDK4 (0.41) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL22650838 0.86 CDK4 (0.41) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL22650835 0.86 CDK4 (0.41) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL22650823 0.85 CDK4 (0.45) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL22650901 0.85 CDK4 (0.45) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL22650797 0.85 CDK4 (0.42) CDK4CCND1CDK1CCNB1CDK6
SCHEMBL29936716 0.84 DYRK2 (0.37) CDK4CCND1CDK1CCNB1CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040446-A CDK inhibitors 基因泰克公司 2025-05-27 CN disclosed
US-20220296595-A1 CDK INHIBITORS GENENTECH, INC. 2022-09-22 US disclosed
EP-3966213-A1 CDK INHIBITORS Qilu Regor Therapeutics Inc. (CN) 2022-03-16 EP disclosed
WO-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO 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 10/4885CCND1 45/4885CDK1 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.