SCHEMBL25737109

SCHEMBL25737109

CCC(=O)NC1CCCC(Nc2nc(N[C@H]3CC[C@H](N(C)C)CC3)nc3c(CC)cnn23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 5/20 0.47
▸ CDK2 P24941 6/20 0.38
▸ CDK9 P50750 5/20 0.38
▸ CDK7 P50613 3/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ TTK P33981 4/20 0.36
▸ CCNE2 O96020 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CLK2 P49760 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
SCHEMBL21473010 0.92 CSNK2A1 (0.52) CSNK2A1CDK2CDK9CDK7CDK4
SCHEMBL25736235 0.91 CSNK2A1 (0.45) CSNK2A1CDK2CDK9CDK7CDK4
SCHEMBL20549636 0.89 CSNK2A1 (0.46) CSNK2A1CDK2CDK9CDK7TTK
SCHEMBL25736291 0.88 CSNK2A1 (0.44) CSNK2A1CDK9TTKCYP3A4PIM1
SCHEMBL18122196 0.88 CSNK2A1 (0.44) CSNK2A1CDK9TTKCYP3A4PIM1
SCHEMBL18122197 0.85 CSNK2A1 (0.46) CSNK2A1CDK2CDK9CDK7CDK4
SCHEMBL20549671 0.85 CSNK2A1 (0.46) CSNK2A1CDK2CDK9CDK7CDK4
SCHEMBL20550115 0.84 CSNK2A1 (0.46) CSNK2A1CDK2CDK9CDK7CDK4
SCHEMBL20550117 0.84 CSNK2A1 (0.46) CSNK2A1CDK2CDK9CDK7CDK4
SCHEMBL20550119 0.76 CSNK2A1 (0.43) CSNK2A1CDK2CDK9CDK7CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 — — US 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-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CSNK2A1 403/4885CDK2 6/4885CDK9 21/4885

“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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