SCHEMBL22650775

SCHEMBL22650775

COc1nc(-c2ccnc(Nc3ccc4c(n3)CCNC4)n2)cc2c1ncn2C(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.44
CDK6 Q00534 17/20 0.44
CDK2 P24941 15/20 0.44
CDK1 P06493 4/20 0.44
CDK7 P50613 4/20 0.44
CDK9 P50750 4/20 0.44
CDK5 Q00535 3/20 0.42
FLT3 P36888 2/20 0.42
CCND3 P30281 2/20 0.40
CCNA2 P20248 2/20 0.40
CSF1R P07333 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
SCHEMBL29491157 0.79 MAPT (0.45) CDK4CDK6CDK2CDK1CDK7
SCHEMBL22650774 0.79 CDK4 (0.51) CDK4CDK6CDK2CDK1CDK7
SCHEMBL22650953 0.78 JAK2 (0.45) CDK4CDK6CDK2CDK1CDK7
SCHEMBL22650859 0.76 CDK4 (0.51) CDK4CDK6CDK2CDK1CDK7
SCHEMBL22650473 0.75 MAP3K14 (0.41) CDK2CCNA2
SCHEMBL22650549 0.74 ZAP70 (0.42) CDK2CDK1CDK9CCNA2
SCHEMBL22650734 0.74 CDK6 (0.48) CDK4CDK6CDK2CDK1CDK7
SCHEMBL22650501 0.73 CDK2 (0.40) CDK4CDK2CDK1CDK9CCNA2
SCHEMBL22650548 0.72 CDK4 (0.41) CDK4CDK6CDK2CDK1CDK7
SCHEMBL18288761 0.71 CDK4 (0.80) CDK4CDK6CDK2CDK1CDK7

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 5 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
CN-114364675-A CDK inhibitors 上海齐鲁锐格医药研发有限公司 2022-04-15 CN 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 10/4885CDK6 3/4885CDK2 11/4885

“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.