SCHEMBL1126356

SCHEMBL1126356

Nc1nccn1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HSP90AA1 P07900 1/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FDPS P14324 1/20 0.47
OPRD1 P41143 3/20 0.46
OPRK1 P41145 2/20 0.46
ADORA2A P29274 1/20 0.45
PI4KA P42356 1/20 0.45
PI4K2B Q8TCG2 1/20 0.45
PI4K2A Q9BTU6 1/20 0.45

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
SCHEMBL7508654 0.83 MEN1 (0.51) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7501008 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2D6KDM4EL3MBTL1
SCHEMBL7686598 0.81 RAB9A (0.48) TLR8CYP11B1CYP11B2LMNAKCNH2
SCHEMBL7670390 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4HSP90AA1L3MBTL1
SCHEMBL8543898 0.81 TLR8 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10446678 0.78 ALDH1A1 (0.54) HSD17B10ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3979622 0.78 DBH (0.44) ALDH1A1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL9248339 0.78 HSP90AA1 (0.56) HSD17B10ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL156000 0.78 HSP90AA1 (0.56) HSD17B10ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL7499950 0.78 LMNA (0.68) KMT2AL3MBTL1LMNA

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 26 patents — showing the first 20. 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-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US claimed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO 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-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2012-12-06 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 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
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (6 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 HSD17B10 3347/4885ALDH1A1 2916/4885MEN1 945/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HSD17B10 3324/4885ALDH1A1 3177/4885MEN1 1418/4885
US-20120309766-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HSD17B10 3324/4885ALDH1A1 3177/4885MEN1 1418/4885
US-20120309741-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK HSD17B10 3324/4885ALDH1A1 3177/4885MEN1 1418/4885
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB HSD17B10 2286/4885ALDH1A1 3036/4885MEN1 895/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HSD17B10 2286/4885ALDH1A1 3036/4885MEN1 895/4885

“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.