SCHEMBL1126236

SCHEMBL1126236

COc1cc(OC)cc(-c2ccc(Br)c3nccnc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.41
CYP1B1 Q16678 5/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2E1 P05181 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C8 P10632 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2A6 P11509 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP4B1 P13584 3/20 0.41
CYP2B6 P20813 3/20 0.41
CYP3A5 P20815 3/20 0.41
CYP2A7 P20853 3/20 0.41
CYP3A7 P24462 3/20 0.41
CYP2F1 P24903 3/20 0.41
CYP2C18 P33260 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2J2 P51589 3/20 0.41
CYP4F2 P78329 3/20 0.41
CYP4F8 P98187 3/20 0.41

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
SCHEMBL14212750 0.91 ROS1 (0.39) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL1126285 0.81 RAB9A (0.38) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL1126228 0.81 RAB9A (0.38) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL13626554 0.81 ABL1 (0.45) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL1126107 0.80 FGFR1 (0.39) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL1126222 0.80 FGFR1 (0.39) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL1126202 0.79 NQO2 (0.42) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL27833121 0.78 NPC1 (0.33) GAARAB9ANPC1
SCHEMBL1126023 0.77 CYP11B1 (0.41) CYP1A1CYP1B1CYP1A2CYP2E1CYP3A4
SCHEMBL1126173 0.77 FGFR3 (0.44) CYP1A2CYP3A4ALDH1A1

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 29 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 disclosed
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-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 US 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-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 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-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 US disclosed
CN-102036963-A Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2011-04-27 CN 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
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 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
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 (2 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 CYP1A1 693/4885CYP1B1 1146/4885CYP1A2 425/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CYP1A1 1120/4885CYP1B1 1231/4885CYP1A2 993/4885

“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.