SCHEMBL1126326

SCHEMBL1126326

CN(C)CCn1ccc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.37
HTR2C P28335 6/20 0.37
HTR2A P28223 5/20 0.37
KDM1A O60341 2/20 0.37
CYP2D6 P10635 3/20 0.34
FTO Q9C0B1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
SLC22A1 O15245 2/20 0.32
PRNP P04156 2/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
HTR1A P08908 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD2 P14416 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
CHRM3 P20309 2/20 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
SCHEMBL30478876 0.76 ITGB2 (0.39) HTR6HTR2CHTR2AKDM1ACYP2D6
SCHEMBL4564716 0.73 KDM5A (0.41) HTR2CHTR2AKDM1AKDM5AKDM5B
SCHEMBL1126768 0.72 HTR2A (0.41) HTR6HTR2CHTR2AKDM1ACYP2D6
SCHEMBL7764269 0.71 HTR2C (0.39) HTR6HTR2CHTR2AKDM1ACYP2D6
SCHEMBL9244967 0.71 TERT (0.43) HTR6HTR2CHTR2AKDM1ACYP2D6
SCHEMBL30811409 0.69 CA12 (0.31)
SCHEMBL1126194 0.69 KDM4E (0.44) FTOCHRM2HTR1ADRD1SLC6A4
SCHEMBL22642917 0.68 HTR6 (0.43) HTR6HTR2CHTR2ACYP2D6FTO
SCHEMBL24655834 0.67 KDM5A (0.44) HTR6HRH3KDM5AKDM5BKDM4E
SCHEMBL13932596 0.66 HTR2C (0.41) HTR6HTR2CHTR2AKDM1ACYP2D6

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 13 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-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 HTR6 1429/4885HTR2C 747/4885HTR2A 1452/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HTR6 2041/4885HTR2C 1585/4885HTR2A 2212/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HTR6 2041/4885HTR2C 1585/4885HTR2A 2212/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HTR6 2041/4885HTR2C 1585/4885HTR2A 2212/4885

“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.