SCHEMBL17872111

SCHEMBL17872111

CCOC(=O)n1nc(Nc2cccc([N+](=O)[O-])c2)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
PDE4B Q07343 1/20 0.38

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
SCHEMBL17872084 0.93 KIF11 (0.37) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL17872086 0.89 MAPT (0.40) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL17872165 0.88 C5AR1 (0.38) MKNK1C5AR1
SCHEMBL17872157 0.87 MAPT (0.41) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL17872102 0.87 KMT2A (0.44) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL22165530 0.83 C5AR1 (0.33) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL22164627 0.82 LMNA (0.41) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL4287464 0.79 KMT2A (0.34) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL17872163 0.79 NTRK1 (0.47) KMT2AMEN1MAPTALDH1A1NPC1
SCHEMBL3468583 0.79 CCNA2 (0.45) KMT2AMEN1MAPTALDH1A1NPC1

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 KMT2A 1373/4885MEN1 600/4885MAPT 265/4885
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 1373/4885MEN1 600/4885MAPT 265/4885
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 886/4885MEN1 742/4885MAPT 172/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 1373/4885MEN1 600/4885MAPT 265/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 1373/4885MEN1 600/4885MAPT 265/4885

“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.