SCHEMBL17872129

SCHEMBL17872129

Cn1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
WDR5 P61964 1/20 0.41
SETD7 Q8WTS6 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40

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
SCHEMBL17872158 0.85 KMT2A (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17872164 0.80 NTRK1 (0.60)
SCHEMBL17872102 0.78 KMT2A (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17872157 0.74 MAPT (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL29574061 0.74 CDK7 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1204604 0.74 C5AR1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4290936 0.74 MAPT (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17878628 0.73 MAPT (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL17878748 0.73 MAPT (0.43) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL4280181 0.72 ALDH1A1 (0.44) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1

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 KMT2A 1373/4885MEN1 600/4885NPC1 4352/4885
US-20220024929-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 1373/4885MEN1 600/4885NPC1 4352/4885
US-20190055248-A1 INHIBITORS OF CYCLINDEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 886/4885MEN1 742/4885NPC1 4426/4885
US-20210115051-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 1373/4885MEN1 600/4885NPC1 4352/4885
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 KMT2A 1373/4885MEN1 600/4885NPC1 4352/4885

“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.