SCHEMBL25737124

SCHEMBL25737124

C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(N[C@H]4CC[C@H](N(C)C)CC4)nc4n3nc[n+]4CC)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 6/20 0.40
▸ CCNH P51946 6/20 0.40
▸ MNAT1 P51948 5/20 0.40
▸ MELK Q14680 2/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCNK O75909 2/20 0.40
▸ CDK12 Q9NYV4 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CDK13 Q14004 1/20 0.40
▸ HIPK4 Q8NE63 1/20 0.38
▸ IRAK1 P51617 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ EGFR P00533 4/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36

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
SCHEMBL18313497 0.85 CDK2 (0.53) CDK7CCNHMNAT1MELKCDK2
SCHEMBL20549702 0.85 CDK2 (0.53) CDK7CCNHMNAT1MELKCDK2
SCHEMBL20549657 0.82 CDK2 (0.51) CDK7CCNHMNAT1MELKCDK2
SCHEMBL18313283 0.82 CDK2 (0.51) CDK7CCNHMNAT1MELKCDK2
SCHEMBL20549662 0.79 CDK2 (0.58) CDK7CCNHMNAT1CDK2CCNK
SCHEMBL18313115 0.79 CDK2 (0.58) CDK7CCNHMNAT1CDK2CCNK
SCHEMBL25736238 0.77 CDK2 (0.51) CDK7CCNHMNAT1CDK2CCNK
SCHEMBL21473063 0.77 CSNK2A1 (0.57) CDK7CCNHMNAT1CDK2CCNK
SCHEMBL18313623 0.76 CSNK2A1 (0.56) CDK7CCNHMNAT1MELKCDK2
SCHEMBL20288862 0.76 CDK2 (0.54) CDK7CCNHMNAT1CDK2CCNK

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 CDK7 12/4885CCNH 46/4885MNAT1 525/4885

“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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