SCHEMBL2332293

SCHEMBL2332293

CCOC(=O)c1cc([N+](=O)[O-])cnc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.53
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CCR6 P51684 2/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.45
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL8321809 0.87 MAPT (0.54) MAPTSMN1; SMN2POLBNPC1KDM4E
SCHEMBL912582 0.86 MAPT (0.59) MAPTSMN1; SMN2POLBNPC1KDM4E
SCHEMBL1313734 0.86 MAPT (0.53) MAPTSMN1; SMN2POLBNPC1KDM4E
SCHEMBL9593080 0.86 MAPT (0.53) MAPTSMN1; SMN2POLBNPC1KDM4E
SCHEMBL5593284 0.85 OPRK1 (0.51) MAPTPOLBNPC1KDM4ERAB9A
SCHEMBL14534667 0.84 MAPT (0.46) MAPTSMN1; SMN2POLBNPC1KDM4E
SCHEMBL11071021 0.84 MAPT (0.53) MAPTSMN1; SMN2NPC1KDM4ERAB9A
SCHEMBL31347406 0.83 MAPT (0.51) MAPTSMN1; SMN2POLBNPC1KDM4E
SCHEMBL10514547 0.82 MAPT (0.50) MAPTSMN1; SMN2POLBNPC1KDM4E
SCHEMBL5486739 0.82 KDM4E (0.51) MAPTSMN1; SMN2POLBNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551995-B2 (4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridazin-3-yl}-phenyl)-morpholin-4-yl-methanone; useful in treating disorders related to abnormal protein kinase activities such as cancer XCOVERY HOLDING COMPANY, LLC (US) 2013-10-08 US disclosed
US-8551995-B2 (4-{6-Amino-5-[1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-pyridazin-3-yl}-phenyl)-morpholin-4-yl-methanone; useful in treating disorders related to abnormal protein kinase activities such as cancer XCOVERY HOLDING COMPANY, LLC (US) 2013-10-08 US disclosed
US-8288540-B2 2-heteroarylamino-pyrimidine derivatives as kinase inhibitors IRM LLC (BM) 2012-10-16 US disclosed
EP-2190836-B1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-08-17 EP disclosed
EP-2190836-B1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-08-17 EP disclosed
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-03-03 US disclosed
EP-2190836-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2010-06-02 EP disclosed
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 US disclosed
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2010-03-11 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 EP disclosed
EP-0277661-A1 Imidazopyrrolopyridines and condensed derivatives thereof useful in the preparation of herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1988-08-10 EP disclosed
US-4701208-A Dihydroimidazopyrrolopyridine, quinoline, thieno- and furo[2,3-b]pyridine, dihydrothieno- and furo[2,3-b]-pyridine, thieno- and furo[3,2-b]pyridine and dihydrothieno- and furo[3,2-b]pyridine herbicides and method for preparation thereof AMERICAN CYANAMID COMPANY (US) 1987-10-20 US disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
EP-0133309-A1 Herbicides and method for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1985-02-20 EP disclosed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 US 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 (3 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC MAPT 4733/4885SMN1; SMN2 3590/4885POLB 1984/4885
US-20100063031-A1 KINASE INHIBITOR COMPOUNDS MAP4K2, MAP3K5, MAP3K15 MAPT 2308/4885SMN1; SMN2 3111/4885POLB 2516/4885
US-20110053952-A1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS FYN, LCK, ERBB2 MAPT 2547/4885SMN1; SMN2 2345/4885POLB 4027/4885

“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.