SCHEMBL3317526

SCHEMBL3317526

CCN1CCN(c2nc[c]c(C(N)=O)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.44
RAD52 P43351 2/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
SYK P43405 1/20 0.37
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MDM2 Q00987 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
JAK2 O60674 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL4965908 0.83 ALDH1A1 (0.41) PTPN11KDM4ESMN1; SMN2GAAMAPT
SCHEMBL6709357 0.81 GAA (0.49) LMNAGAATSHR
SCHEMBL3318389 0.81 PTPN11 (0.44) PTPN11KDM4EMAPT
SCHEMBL3668288 0.79 ALDH1A1 (0.40) SYKKDM4ESMN1; SMN2CYP1A2TSHR
SCHEMBL2794719 0.79 KDM4E (0.53) PTPN11LMNAKDM4ESMN1; SMN2TSHR
SCHEMBL3635734 0.76 IKBKB (0.39) PTPN11KDM4E
SCHEMBL2825602 0.76 HRH3 (0.45) PTPN11RAD52RECQLBLMSYK
SCHEMBL6712880 0.74 FAAH (0.47) JAK2
SCHEMBL4967728 0.73 LCK (0.38) SYK
SCHEMBL4969126 0.73 LCK (0.38) SYK

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 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

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 PTPN11 213/4885RAD52 4732/4885RECQL 830/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PTPN11 97/4885RAD52 4846/4885RECQL 1900/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PTPN11 97/4885RAD52 4846/4885RECQL 1900/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PTPN11 97/4885RAD52 4846/4885RECQL 1900/4885

“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.