SCHEMBL25947645

SCHEMBL25947645

CCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2c1C(C)(C)N(C(=O)N[C@H](CN(C)C)c1ccccc1)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 12/20 0.58
CDK2 P24941 4/20 0.58
CDK7 P50613 8/20 0.56
CCNH P51946 8/20 0.56
MNAT1 P51948 8/20 0.56
CCNT1 O60563 1/20 0.53
CCNA2 P20248 1/20 0.53
CDK9 P50750 1/20 0.53
CCNA1 P78396 1/20 0.53
MELK Q14680 2/20 0.47
HIPK4 Q8NE63 1/20 0.47
MAPK1 P28482 2/20 0.43
RPS6KA1 Q15418 2/20 0.43
PLK4 O00444 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
GAK O14976 1/20 0.43
RPS6KA5 O75582 1/20 0.43
RPS6KA4 O75676 1/20 0.43
STK16 O75716 1/20 0.43

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
SCHEMBL25947621 0.91 PAK4 (0.60) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL22924067 0.90 PAK4 (0.61) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL29658878 0.88 PAK4 (0.56) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL22924083 0.86 CDK7 (0.72) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL28738721 0.86 CDK7 (0.72) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL28738717 0.83 P2RY14 (0.41) CDK7CCNHMNAT1NTRK1
SCHEMBL17878632 0.83 PAK4 (0.58) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL20741127 0.82 CDK7 (0.58) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL20741131 0.82 CDK7 (0.58) PAK4CDK2CDK7CCNHMNAT1
SCHEMBL17872161 0.82 CDK7 (0.58) PAK4CDK2CDK7CCNHMNAT1

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 3 patents. 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
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 US disclosed
EP-4003335-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-06-01 EP 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 PAK4 469/4885CDK2 1/4885CDK7 4/4885

“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.