SCHEMBL25948113

SCHEMBL25948113

C#C/C=C\C=C(/C)[C@@H](CN(C)C)NC(=O)N1Cc2c(NC(=O)c3ccc(C4CCN(C(=O)C=C)C4)cc3)nn(C)c2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 7/20 0.44
CCNH P51946 7/20 0.44
MNAT1 P51948 7/20 0.44
CDK2 P24941 6/20 0.37
CCNA2 P20248 3/20 0.37
CCNA1 P78396 3/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
PAK4 O96013 3/20 0.36
MELK Q14680 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
BTK Q06187 1/20 0.32

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
SCHEMBL25947921 0.96 CDK7 (0.45) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL25948071 0.87 CDK7 (0.45) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL25952641 0.86 CDK7 (0.59) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL22924090 0.85 CDK7 (0.45) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL25947956 0.83 CDK7 (0.36) CDK7CCNHMNAT1
SCHEMBL22924043 0.83 CDK7 (0.56) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL25947836 0.80 CDK7 (0.49) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL22924079 0.79 CDK7 (0.57) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL25947875 0.79 CDK7 (0.51) CDK7CCNHMNAT1CDK2CCNA2
SCHEMBL25948158 0.78 CDK7 (0.48) CDK7CCNHMNAT1CDK2CCNA2

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-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 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-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 CDK7 4/4885CCNH 40/4885MNAT1 1470/4885

“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.