SCHEMBL25947656

SCHEMBL25947656

CC(C)(C)OC(=O)N1Cc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n[nH]c2C1(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.59
CCNA2 P20248 17/20 0.59
CCNA1 P78396 17/20 0.59
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNE1 P24864 1/20 0.52
GSK3B P49841 1/20 0.52
CDK5 Q00535 1/20 0.52
CDK5R1 Q15078 1/20 0.52
NTRK1 P04629 1/20 0.52
PAK4 O96013 2/20 0.51

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
SCHEMBL17872164 0.89 NTRK1 (0.60) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL28738725 0.86 CDK2 (0.60) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL29574061 0.81 CDK7 (0.46) CDK2CCNA2CCNA1
SCHEMBL17872163 0.80 NTRK1 (0.47) CDK2CCNA2CCNA1CDK1CCNB1
SCHEMBL17872166 0.80 ALDH1A1 (0.42) CDK2CCNA2CCNA1
SCHEMBL29574348 0.79 NPC1 (0.39) CDK2CCNA2CCNA1NTRK1
SCHEMBL25947657 0.79 CDK7 (0.38) CDK2CCNA2CCNA1PAK4
SCHEMBL22164627 0.78 LMNA (0.41) CDK2CCNA2CCNA1
SCHEMBL31256518 0.78 PAK4 (0.41) CDK2CCNA2CCNA1NTRK1PAK4
SCHEMBL22164976 0.78 PAK4 (0.41) CDK2CCNA2CCNA1NTRK1PAK4

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
EP-4003335-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2022-06-01 EP disclosed
CN-114401719-A Inhibitors of cyclin-dependent kinase 7 and uses thereof 达纳-法伯癌症研究所股份有限公司 2022-04-26 CN 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 CDK2 1/4885CCNA2 14/4885CCNA1 36/4885

“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.