SCHEMBL23520407

SCHEMBL23520407

COc1cc(F)ccc1-c1cc(NC(C)=O)ncc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 12/20 0.67
▸ CDK2 P24941 7/20 0.67
▸ CDK1 P06493 5/20 0.67
▸ CDK4 P11802 1/20 0.67
▸ HDAC3 O15379 3/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CCNT1 O60563 6/20 0.46
▸ CDK3 Q00526 3/20 0.46
▸ CDK5 Q00535 3/20 0.46
▸ GSK3A P49840 3/20 0.46
▸ CCNE1 P24864 3/20 0.46
▸ GSK3B P49841 2/20 0.46
▸ CCNB1 P14635 2/20 0.46
▸ CCNA1 P78396 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ ABL1 P00519 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ SCN9A Q15858 2/20 0.44
▸ IRAK1 P51617 1/20 0.44

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
SCHEMBL23520266 0.88 CDK9 (0.58) CDK9CDK2CDK1CDK4HDAC3
SCHEMBL27261178 0.87 CDK9 (0.52) CDK9CDK2CDK1CDK4HDAC3
SCHEMBL25082296 0.85 CDK9 (0.73) CDK9CDK2CDK1CDK4CCNT1
SCHEMBL30203794 0.85 CDK9 (0.73) CDK9CDK2CDK1CDK4CCNT1
SCHEMBL23520419 0.84 CDK9 (0.78) CDK9CDK2CDK1CDK4CCNT1
SCHEMBL23520311 0.82 CDK9 (0.90) CDK9CDK2CDK1CDK4CCNT1
SCHEMBL25119966 0.82 CDK9 (0.90) CDK9CDK2CDK1CDK4CCNT1
SCHEMBL25082294 0.81 CDK9 (0.64) CDK9CDK2CDK1CDK4HDAC3
SCHEMBL25082008 0.81 CDK9 (0.69) CDK9CDK2CDK1CDK4CCNT1
SCHEMBL30241326 0.81 CDK9 (0.64) CDK9CDK2CDK1CDK4HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102081-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2023-03-30 — — US disclosed
WO-2021115335-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF 石药集团中奇制药技术(石家庄)有限公司 2021-06-17 — — 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-20230102081-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CDK9, CDK4, CDKL4 CDK9 1/4885CDK2 16/4885CDK1 10/4885

“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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