SCHEMBL3313810

SCHEMBL3313810

CN1CCN(Cc2c[nH]c(N)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.41
HTR6 P50406 1/20 0.41
MC4R P32245 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
PTPN1 P18031 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MPO P05164 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHKA P35790 2/20 0.37
CA2 P00918 1/20 0.37
NCF1 P14598 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
NR1H2 P55055 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
SCHEMBL3316970 0.87 ALDH1A1 (0.39) LMNAKDM4EGAASMN1; SMN2
SCHEMBL3316942 0.84 ALDH1A1 (0.39) LMNAKDM4EHRH3SMN1; SMN2TLR7
SCHEMBL3318585 0.80 SMN1; SMN2 (0.54) KDM4EPTPN1HRH3GAASMN1; SMN2
SCHEMBL3313807 0.77 PARP1 (0.41) LMNAKDM4EHTR6MC4RHRH4
SCHEMBL1126117 0.76 KDM4E (0.39) KDM4EHTR6MC4RHRH4HRH3
SCHEMBL3318623 0.73 NOS3 (0.38) NOS3NOS1NOS2
SCHEMBL3316994 0.71 KMT2A (0.41) KDM4ESMN1; SMN2
SCHEMBL22230354 0.70 LMNA (0.45) LMNAKDM4EMC4RNOS3NOS1
SCHEMBL30323744 0.70 CXCR4 (0.49) LMNAKDM4EMC4RNOS3NOS1
SCHEMBL9072421 0.70 SMN1; SMN2 (0.67) LMNAKDM4EMC4RSMN1; SMN2

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 14 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-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US claimed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 US 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-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
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 LMNA 2396/4885KDM4E 980/4885HTR6 1429/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK LMNA 3052/4885KDM4E 643/4885HTR6 2041/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK LMNA 3052/4885KDM4E 643/4885HTR6 2041/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK LMNA 3052/4885KDM4E 643/4885HTR6 2041/4885

“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.