SCHEMBL175136

SCHEMBL175136

NC(=O)c1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
CYP3A4 P08684 2/20 0.40
PLA2G10 O15496 3/20 0.40
TSHR P16473 2/20 0.36
MAPT P10636 3/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
LMNA P02545 2/20 0.34
PARP1 P09874 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
KCNMA1 Q12791 2/20 0.33
GAA P10253 1/20 0.33
MAP2K1 Q02750 1/20 0.32
USP7 Q93009 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL160276 0.83 SMN1; SMN2 (0.51) SMN1; SMN2
SCHEMBL12332643 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MAPTBLMLMNAKMT2A
SCHEMBL16524045 0.78 SMN1; SMN2 (0.37) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL627520 0.77 MAPK1 (0.57) SMN1; SMN2MAPTLMNAGAA
SCHEMBL21964602 0.74 ALPL (0.47) MAPTKMT2AALDH1A1
SCHEMBL17796561 0.74 MAPT (0.58) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL14917715 0.73 MAPK1 (0.34) SMN1; SMN2MAPTKMT2AGAA
SCHEMBL3932634 0.73 MAPK8 (0.55) SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL18529294 0.72
SCHEMBL10399828 0.72

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092799-A1 MNK INHIBITORS HEPAGENE THERAPEUTICS HK LTD (CN) 2024-03-21 US disclosed
CN-116490505-A MNK inhibitors 和博医药有限公司 2023-07-25 CN disclosed
EP-4200296-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (HK) 2023-06-28 EP disclosed
CN-112939948-B Novel quinazoline-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-05-17 CN disclosed
WO-2022038563-A1 MNK INHIBITORS Hepagene Therapeutics (HK) Limited (CN) 2022-02-24 WO disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 WO disclosed
CN-112939948-A Novel quinazoline-containing compound, intermediate and application thereof 苏州长禾药业股份有限公司 2021-06-11 CN disclosed
CN-105601619-A JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP 2016-05-25 CN disclosed
US-9308207-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2016-04-12 US disclosed
US-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2015-06-04 US disclosed
EP-2611502-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
US-8349851-B2 JAK kinase modulating compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2013-01-08 US disclosed
CN-102395576-A Quinazoline derivatives that modulate JAK kinases and methods of use thereof AMBIT BIOSCIENCES CORP 2012-03-28 CN disclosed
WO-2012030918-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 WO disclosed
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. (US) 2012-03-01 US disclosed
EP-2401267-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-01-04 EP disclosed
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION 2011-11-03 US disclosed
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORP. 2010-12-16 US disclosed
WO-2010099379-A1 JAK KINASE MODULATING QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-09-02 WO disclosed
WO-2010002472-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2010-01-07 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-20150150874-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 SMN1; SMN2 2798/4885CYP3A4 3115/4885PLA2G10 3776/4885
US-20240092799-A1 MNK INHIBITORS MKNK1, MATK, NEK1 SMN1; SMN2 360/4885CYP3A4 4455/4885PLA2G10 3222/4885
US-20110269740-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 SMN1; SMN2 4351/4885CYP3A4 3372/4885PLA2G10 2559/4885
US-20100317659-A1 JAK KINASE MODULATING COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, JAK1 SMN1; SMN2 2798/4885CYP3A4 3115/4885PLA2G10 3776/4885
US-20120053176-A1 ADENOSINE A3 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF ADORA2A, ADORA3, ADORA1 SMN1; SMN2 4779/4885CYP3A4 2890/4885PLA2G10 624/4885

“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.