SCHEMBL22650530

SCHEMBL22650530

CC(C)c1c2cc(B(O)O)ncc2nn1C

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA1 P30542 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
SCHEMBL28731684 0.79 ADORA3 (0.32) CCNT1CCNCCDK2CDK8CDK7
SCHEMBL17459798 0.68 HTT (0.42) CCNT1CCNCCDK2CDK8CDK7
SCHEMBL23996985 0.67 ESR1 (0.38) CCNT1CCNCCDK2CDK8CDK7
SCHEMBL25966728 0.67 KAT2B (0.35) ADORA3ADORA1
SCHEMBL19836555 0.65 NPC1 (0.38) CCNT1CCNCCDK2CDK8CDK7
SCHEMBL18081416 0.65 LMNA (0.37) CCNT1CCNCCDK2CDK8CDK7
SCHEMBL26129508 0.65 PAK4 (0.39) CDK8CDK7CDK9ADORA3ADORA1
SCHEMBL10129331 0.64 ADORA3 (0.43) ADORA3ADORA1
SCHEMBL22650377 0.64 CDK6 (0.38) CCNT1CDK2CDK9
SCHEMBL15341875 0.64 ADORA3 (0.38) CCNT1CCNCCDK2CDK8CDK7

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 CCNT1 31/4885CCNC 32/4885CDK2 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.

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