SCHEMBL3318397

SCHEMBL3318397

CC1(C)CNCCN1Cc1ccc(C(N)=O)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
MERTK Q12866 1/20 0.42
GAS6 Q14393 1/20 0.42
HRH3 Q9Y5N1 1/20 0.38
GRM2 Q14416 3/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP6 Q2NL67 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
VNN1 O95497 2/20 0.36
KMT2A Q03164 2/20 0.34
NAMPT P43490 1/20 0.34
CHEK1 O14757 1/20 0.34
ACHE P22303 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
PRKAA2 P54646 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 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
SCHEMBL3318399 0.82 FLT3 (0.42) FLT3MERTKGAS6
SCHEMBL27833136 0.81 FLT3 (0.37) FLT3MERTKGAS6
SCHEMBL23106917 0.81 FLT3 (0.43) FLT3MERTKGAS6
SCHEMBL3317954 0.79 GRM2 (0.39) FLT3HRH3GRM2TNKSPARP1
SCHEMBL3321202 0.78 GRM2 (0.50) HRH3GRM2TNKSPARP1PARP6
SCHEMBL23103351 0.78 FLT3 (0.41) FLT3MERTKGAS6HRH3
SCHEMBL1126385 0.76 NAMPT (0.46) FLT3MERTKGAS6NAMPTHDAC3
SCHEMBL3318608 0.76 HRH3 (0.41) HRH3GRM2TNKSPARP1PARP6
SCHEMBL27833137 0.75 FLT3 (0.39) FLT3MERTKGAS6KMT2AACHE
SCHEMBL518379 0.72 ALDH1A1 (0.44) FLT3MERTKGAS6MLNR

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 FLT3 21/4885MERTK 975/4885GAS6 4293/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK FLT3 5/4885MERTK 250/4885GAS6 3196/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK FLT3 5/4885MERTK 250/4885GAS6 3196/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK FLT3 5/4885MERTK 250/4885GAS6 3196/4885

“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.