SCHEMBL110074

SCHEMBL110074

COC(=O)c1nc(Cl)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.37
COMT P21964 1/20 0.37
DCTPP1 Q9H773 1/20 0.36
POLB P06746 5/20 0.34
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIM3 Q86V86 1/20 0.32
RECQL P46063 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
Hydrochloric Acid SCHEMBL15206614 0.98 SMN1; SMN2 (0.42) NPSR1SMN1; SMN2MAPTHTTCOMT
SCHEMBL58060 0.84 PTGS1 (0.42) NPSR1MAPTHTTPOLBMAPK1
SCHEMBL7014795 0.84 NPSR1 (0.46) NPSR1SMN1; SMN2MAPTHTTCOMT
SCHEMBL17619238 0.83 MAPT (0.33) SMN1; SMN2MAPTPOLBMAPK1ALDH1A1
SCHEMBL17603797 0.83 SMN1; SMN2 (0.41) NPSR1SMN1; SMN2MAPTHTTCOMT
SCHEMBL4599296 0.81 TDP1 (0.35) MAPTPOLBALDH1A1
SCHEMBL117827 0.78 NPSR1 (0.54) NPSR1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL29502585 0.78 NPSR1 (0.54) NPSR1SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL2343678 0.78 MAPT (0.44) NPSR1SMN1; SMN2MAPTHTTCOMT
SCHEMBL20223115 0.76 HTT (0.43) SMN1; SMN2MAPTHTTPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143806-A Nitrogen-containing heterocyclic compound, preparation method and application 上海凌达生物医药有限公司 2023-05-23 CN disclosed
CN-112830928-A Pyrimido-cyclic derivative and application thereof in medicine 四川海思科制药有限公司 2021-05-25 CN disclosed
US-10723738-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-07-28 US disclosed
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2020-02-27 US disclosed
EP-3519402-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS Araxes Pharma LLC (US) 2019-08-07 EP disclosed
US-10280172-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2019-05-07 US disclosed
US-20180155348-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-06-07 US disclosed
US-20180155348-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-06-07 US disclosed
WO-2018064510-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC (US) 2018-04-05 WO disclosed
EP-2958918-B1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INT (DE) 2016-12-07 EP disclosed
EP-1812424-A4 KINASE INHIBITORS MIIKANA THERAPEUTICS INC (US) 2009-07-08 EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
US-20080200485-A1 Kinase Inhibitors MIIKANA THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200485-A1 Kinase Inhibitors MIIKANA THERAPEUTICS, INC. 2008-08-21 US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
EP-1812424-A2 KINASE INHIBITORS Miikana Therapeutics, Inc. (US) 2007-08-01 EP disclosed
WO-2006055831-A2 KINASE INHIBITORS MIIKANA THERAPEUTICS, INC. (US) 2006-05-26 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 (6 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-20180155348-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS NPSR1 4581/4885SMN1; SMN2 1674/4885MAPT 251/4885
US-10723738-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS NPSR1 4558/4885SMN1; SMN2 1774/4885MAPT 258/4885
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS NPSR1 4558/4885SMN1; SMN2 1774/4885MAPT 258/4885
US-20080200485-A1 Kinase Inhibitors AURKC, AURKA, AURKB NPSR1 4783/4885SMN1; SMN2 3802/4885MAPT 1148/4885
US-10280172-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS NPSR1 4581/4885SMN1; SMN2 1674/4885MAPT 251/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC NPSR1 3965/4885SMN1; SMN2 3850/4885MAPT 3618/4885

“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.