SCHEMBL21654892

SCHEMBL21654892

C=CC(=O)Nc1cccc(Nc2nc(N[C@H]3CC[C@H](N(C)C)CC3)nc3c(C(C)C)cnn23)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 10/20 0.56
CCNH P51946 10/20 0.56
MNAT1 P51948 10/20 0.56
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
CSNK2A1 P68400 4/20 0.48
EGFR P00533 1/20 0.48
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47
CDK2 P24941 3/20 0.45
CDK9 P50750 3/20 0.45

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
SCHEMBL18313073 0.94 CDK7 (0.51) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL21654891 0.90 CSNK2A1 (0.59) CDK7CCNHMNAT1CSNK2A1CDK2
SCHEMBL20550095 0.88 CSNK2A1 (0.62) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL18122693 0.88 CSNK2A1 (0.62) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL20549689 0.86 CDK2 (0.54) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL20288862 0.86 CDK2 (0.54) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL18313623 0.83 CSNK2A1 (0.56) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL18072919 0.82 CDK7 (0.65) CDK7CCNHMNAT1CDK2CDK9
SCHEMBL20549657 0.81 CDK2 (0.51) CDK7CCNHMNAT1CDK5CDK5R1
SCHEMBL18313283 0.81 CDK2 (0.51) CDK7CCNHMNAT1CDK5CDK5R1

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-10550121-B2 Inhibitors of cyclin-dependent kinases DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-02-04 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-10550121-B2 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.