SCHEMBL17872159

SCHEMBL17872159

CC1(C)NCc2c(NC3CCCN(C(=O)c4ccc([N+](=O)[O-])cc4)C3)nn(C(=O)OCc3ccccc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.40
KMT2A Q03164 4/20 0.38
PKM P14618 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 1/20 0.37
CCNK O75909 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
P2RX7 Q99572 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL17872119 0.88 POLB (0.43) SMN1; SMN2ALDH1A1POLBHTTKMT2A
SCHEMBL17872068 0.85 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1POLBHTTKMT2A
SCHEMBL17872959 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1POLBHTTKMT2A
SCHEMBL20741141 0.81 PAK4 (0.39) SMN1; SMN2ALDH1A1POLBHTTMAPK1
SCHEMBL17872122 0.81 PAK4 (0.39) SMN1; SMN2ALDH1A1POLBHTTMAPK1
SCHEMBL31220837 0.74 PARP1 (0.47) SMN1; SMN2ALDH1A1POLBHTTKMT2A
SCHEMBL20741121 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1POLBHTTKMT2A
SCHEMBL20741123 0.73 PARP1 (0.48) SMN1; SMN2POLBHTTKMT2AMAPK1
SCHEMBL20741126 0.73 PARP1 (0.48) SMN1; SMN2POLBHTTKMT2AMAPK1
SCHEMBL22165012 0.71 LMNA (0.45) SMN1; SMN2ALDH1A1HTTKMT2ANPC1

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 8 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

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 SMN1; SMN2 1868/4885ALDH1A1 4404/4885POLB 694/4885
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 SMN1; SMN2 1868/4885ALDH1A1 4404/4885POLB 694/4885
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 SMN1; SMN2 1988/4885ALDH1A1 4277/4885POLB 803/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 SMN1; SMN2 1868/4885ALDH1A1 4404/4885POLB 694/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 SMN1; SMN2 1868/4885ALDH1A1 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.