SCHEMBL20741129

SCHEMBL20741129

CC1(C)c2[nH]nc(NC3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4)C3)c2CN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 9/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNA2 P20248 8/20 0.41
CDK2 P24941 8/20 0.41
CCNA1 P78396 8/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL17872166 0.89 ALDH1A1 (0.42) PRKCBALDH1A1POLBSMN1; SMN2CCNA2
Trifluoroacetic Acid SCHEMBL31220713 0.87 PRKCB (0.40) PRKCBALDH1A1POLBSMN1; SMN2CCNA2
SCHEMBL20754619 0.85 PAK4 (0.58) PRKCBCCNA2CDK2CCNA1
SCHEMBL28738725 0.78 CDK2 (0.60) CCNA2CDK2CCNA1
SCHEMBL17872119 0.77 POLB (0.43) ALDH1A1POLBSMN1; SMN2CCNA2CDK2
SCHEMBL20741121 0.76 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2EPHX2
SCHEMBL17878703 0.75 PAK4 (0.47) PRKCBCCNA2CDK2CCNA1
SCHEMBL17872155 0.74 PAK4 (0.60) PRKCBCCNA2CDK2CCNA1
SCHEMBL20741128 0.74 PAK4 (0.60) PRKCBCCNA2CDK2CCNA1
SCHEMBL20741167 0.71 CDK7 (0.72) PRKCBCCNA2CDK2CCNA1

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 PRKCB 1044/4885ALDH1A1 4404/4885POLB 694/4885
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 PRKCB 1281/4885ALDH1A1 4277/4885POLB 803/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 PRKCB 1044/4885ALDH1A1 4404/4885POLB 694/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 PRKCB 1044/4885ALDH1A1 4404/4885POLB 694/4885

“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.