SCHEMBL22650744

SCHEMBL22650744

COc1nc(B(O)O)cc2c1nc(C)n2C(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAPK1 P53355 1/20 0.32
DCTPP1 Q9H773 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL22650743 0.78 DAPK1 (0.33) DAPK1DCTPP1CDK1CDK4CCNB1
SCHEMBL29491180 0.78 DAPK1 (0.33) DAPK1DCTPP1CDK1CDK4CCNB1
SCHEMBL22650391 0.71 JAK2 (0.32)
SCHEMBL22650827 0.69 CDK4 (0.39) DAPK1CDK1CDK4CCNB1CCND1
SCHEMBL22650829 0.68 CDK4 (0.34) CDK1CDK4CCNB1CCND1
SCHEMBL22650828 0.68 CDK4 (0.33) CDK1CDK4CCNB1CCND1
SCHEMBL22650826 0.66 AAK1 (0.38) CDK1CDK4CCNB1CCND1
SCHEMBL22650586 0.66 EGFR (0.39) CDK1CDK4CCNB1CCND1
SCHEMBL26521402 0.65 SQOR (0.35)
SCHEMBL23598167 0.64 DCTPP1 (0.39) DAPK1DCTPP1CDK1CDK4CCNB1

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 DAPK1 1133/4885DCTPP1 570/4885CDK1 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.