SCHEMBL3318841

SCHEMBL3318841

NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 8/20 0.60
PRKAB2 O43741 4/20 0.60
PRKAG1 P54619 4/20 0.60
PRKAA1 Q13131 4/20 0.60
PRKAG3 Q9UGI9 4/20 0.60
PRKAG2 Q9UGJ0 4/20 0.60
PRKAB1 Q9Y478 4/20 0.60
SIGMAR1 Q99720 2/20 0.53
HDAC4 P56524 1/20 0.51
KCNH2 Q12809 1/20 0.51
HDAC1 Q13547 1/20 0.51
GAA P10253 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL3317696 0.86 HRH3 (0.59) PRKAA2HDAC1MEN1KMT2AATM
SCHEMBL3315806 0.85 LMNA (0.51) PRKAA2MEN1KMT2AATM
SCHEMBL3314013 0.85 KMT2A (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3313636 0.84 ALDH1A1 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3318698 0.83 SIGMAR1 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3317378 0.83 MEN1 (0.69) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3311748 0.82 HIF1A (0.60)
SCHEMBL3321202 0.82 GRM2 (0.50) SIGMAR1MEN1KMT2AATM
SCHEMBL5037300 0.80 PLA2G10 (0.58) MEN1KMT2AALDH1A1
SCHEMBL1126310 0.78 SIGMAR1 (0.60) SIGMAR1GAAKMT2AALDH1A1

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-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 (3 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 PRKAA2 363/4885PRKAB2 1082/4885PRKAG1 1224/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PRKAA2 420/4885PRKAB2 873/4885PRKAG1 819/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK PRKAA2 420/4885PRKAB2 873/4885PRKAG1 819/4885

“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.