SCHEMBL1126099

SCHEMBL1126099

O=[N+]([O-])c1nc(CN2CCOCC2)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
KCNJ1 P48048 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
CXCR4 P61073 1/20 0.47
CTSB P07858 1/20 0.43
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.37
PSD A5PKW4 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL1126079 0.86 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1126117 0.84 KDM4E (0.39) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL1126087 0.82 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1MAPTPOLB
SCHEMBL3318585 0.75 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MAPTCXCR4MEN1
SCHEMBL1126491 0.75 KMT2A (0.39) SMN1; SMN2KCNJ1ALDH1A1KMT2A
SCHEMBL12615263 0.75 CXCR4 (0.49) SMN1; SMN2ALDH1A1CXCR4MEN1KMT2A
SCHEMBL9760886 0.74 ALDH1A1 (0.50) LMNAALDH1A1MAPTCTSBPOLB
SCHEMBL12652317 0.73 CXCR4 (0.50) SMN1; SMN2LMNAALDH1A1MAPTCXCR4
SCHEMBL3318580 0.72 CXCR4 (0.46) SMN1; SMN2CXCR4ALOX15
SCHEMBL11109785 0.71 MAPT (0.31) SMN1; SMN2LMNAKCNJ1ALDH1A1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 US disclosed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US disclosed
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 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 (4 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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 SMN1; SMN2 2776/4885LMNA 2396/4885KCNJ1 1395/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK SMN1; SMN2 3530/4885LMNA 3052/4885KCNJ1 2654/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK SMN1; SMN2 3530/4885LMNA 3052/4885KCNJ1 2654/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK SMN1; SMN2 3530/4885LMNA 3052/4885KCNJ1 2654/4885

“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.