SCHEMBL20741121

SCHEMBL20741121

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BTK Q06187 2/20 0.40
EPHX2 P34913 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 6/20 0.36
USP30 Q70CQ3 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 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
SCHEMBL17872068 0.90 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2BTKEPHX2
SCHEMBL17872166 0.84 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2BTKEPHX2
Trifluoroacetic Acid SCHEMBL31220713 0.82 PRKCB (0.40) ALDH1A1POLBSMN1; SMN2BTKEPHX2
SCHEMBL17872119 0.82 POLB (0.43) ALDH1A1POLBSMN1; SMN2EPHX2LMNA
SCHEMBL20741129 0.76 PRKCB (0.46) ALDH1A1POLBSMN1; SMN2EPHX2
SCHEMBL20741141 0.75 PAK4 (0.39) ALDH1A1POLBSMN1; SMN2BTKHTT
SCHEMBL17872122 0.75 PAK4 (0.39) ALDH1A1POLBSMN1; SMN2BTKHTT
SCHEMBL17872159 0.74 SMN1; SMN2 (0.43) ALDH1A1POLBSMN1; SMN2EPHX2LMNA
SCHEMBL17872959 0.72 SMN1; SMN2 (0.41) ALDH1A1POLBSMN1; SMN2EPHX2LMNA
SCHEMBL22164627 0.72 LMNA (0.41) ALDH1A1SMN1; SMN2EPHX2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-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.