SCHEMBL17872166

SCHEMBL17872166

CC(C)(C)OC(=O)N1Cc2c(NC3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4)C3)n[nH]c2C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKCB P05771 7/20 0.42
EPHX2 P34913 1/20 0.40
BTK Q06187 1/20 0.40
CCNA2 P20248 9/20 0.39
CDK2 P24941 9/20 0.39
CCNA1 P78396 9/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL31220713 0.96 PRKCB (0.40) ALDH1A1POLBSMN1; SMN2PRKCBEPHX2
SCHEMBL20741129 0.89 PRKCB (0.46) ALDH1A1POLBSMN1; SMN2PRKCBEPHX2
SCHEMBL20741121 0.84 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2EPHX2BTK
SCHEMBL25947656 0.80 CDK2 (0.59) CCNA2CDK2CCNA1
SCHEMBL20754619 0.79 PAK4 (0.58) PRKCBBTKCCNA2CDK2CCNA1
SCHEMBL17872068 0.79 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2EPHX2BTK
SCHEMBL17872164 0.72 NTRK1 (0.60) PRKCBCCNA2CDK2CCNA1
SCHEMBL17872163 0.72 NTRK1 (0.47) ALDH1A1SMN1; SMN2PRKCBCCNA2CDK2
SCHEMBL17878703 0.72 PAK4 (0.47) PRKCBCCNA2CDK2CCNA1
SCHEMBL17872119 0.70 POLB (0.43) ALDH1A1POLBSMN1; SMN2EPHX2CCNA2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3236959-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2025-09-24 EP disclosed
US-12168663-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-12-17 US disclosed
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-01-27 US disclosed
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 US disclosed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US disclosed
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. 2019-02-21 US disclosed
EP-3236959-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Dana Farber Cancer Institute, Inc. (US) 2017-11-01 EP disclosed
WO-2016105528-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 WO disclosed
WO-2016105528-A2 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-06-30 WO 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 (5 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-12168663-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 4404/4885POLB 694/4885SMN1; SMN2 1868/4885
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 4404/4885POLB 694/4885SMN1; SMN2 1868/4885
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 4277/4885POLB 803/4885SMN1; SMN2 1988/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 4404/4885POLB 694/4885SMN1; SMN2 1868/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 4404/4885POLB 694/4885SMN1; SMN2 1868/4885

“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.