SCHEMBL3316989

SCHEMBL3316989

NC(=O)c1nc(CN2CCNC(=O)C2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.45
GRM2 Q14416 1/20 0.42
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
CYP11B2 P19099 1/20 0.38
PARP1 P09874 2/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNIK Q9UKE5 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KDM5C P41229 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC2A1 P11166 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL3316994 0.81 KMT2A (0.41) SCN9AGRM2KMT2AATMCYP11B2
SCHEMBL3316933 0.79 PARP1 (0.38) SCN9APARP1KDM4EALDH1A1
SCHEMBL3318580 0.76 CXCR4 (0.46) GRM2PARP1SMN1; SMN2JAK2KDM4E
SCHEMBL3316965 0.76 PARP1 (0.35) KMT2APARP1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3313807 0.76 PARP1 (0.41) GRM2PARP1KDM5CKDM4E
SCHEMBL1126491 0.75 KMT2A (0.39) SCN9AGRM2KMT2AATMCYP11B2
SCHEMBL3314746 0.70 JAK1 (0.37) JAK2JAK1
SCHEMBL8157307 0.70 KMT2A (0.40) SCN9AKMT2AATMCYP11B2PARP1
SCHEMBL3317934 0.69 GRM2 (0.54) SCN9AGRM2CYP11B2PARP1SMN1; SMN2
SCHEMBL4745071 0.68 SMN1; SMN2 (0.51) GRM2KMT2ACYP11B2SMN1; SMN2KDM4E

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 12 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 claimed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 US claimed
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-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-20120309741-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
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 SCN9A 1419/4885GRM2 2321/4885KMT2A 1289/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK SCN9A 1153/4885GRM2 3342/4885KMT2A 1129/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK SCN9A 1153/4885GRM2 3342/4885KMT2A 1129/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK SCN9A 1153/4885GRM2 3342/4885KMT2A 1129/4885

“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.