SCHEMBL25947657

SCHEMBL25947657

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
MAPT P10636 5/20 0.38
CDK2 P24941 5/20 0.38
CCNA2 P20248 4/20 0.38
CCNA1 P78396 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
WDR5 P61964 1/20 0.35
PAK4 O96013 1/20 0.34

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
SCHEMBL29574061 0.88 CDK7 (0.46) CDK7CCNHMNAT1MAPTCDK2
SCHEMBL28738727 0.87 ABCG2 (0.39) CDK7CCNHMNAT1MAPTCDK2
SCHEMBL29574348 0.85 NPC1 (0.39) CDK7CCNHMNAT1MAPTCDK2
SCHEMBL22164627 0.84 LMNA (0.41) CDK7CCNHMNAT1MAPTCDK2
SCHEMBL25947656 0.79 CDK2 (0.59) CDK2CCNA2CCNA1PAK4
SCHEMBL17872158 0.78 KMT2A (0.43) CDK7CCNHMNAT1MAPTALDH1A1
SCHEMBL17872102 0.74 KMT2A (0.44) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL17872086 0.74 MAPT (0.40) CDK7CCNHMNAT1MAPTALDH1A1
SCHEMBL28649634 0.74 NPC1 (0.39) CDK7CCNHMNAT1MAPTCDK2
SCHEMBL28738720 0.74 CDK7 (0.46) CDK7CCNHMNAT1MAPTCDK2

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 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.