SCHEMBL629012

SCHEMBL629012

COc1cc(-c2ccc3ncc(NC(=O)Nc4cccs4)nc3c2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.60
AURKB Q96GD4 5/20 0.60
YES1 P07947 3/20 0.60
NTRK1 P04629 1/20 0.60
PIK3CA P42336 3/20 0.52
MAPK8 P45983 3/20 0.52
MAPK9 P45984 3/20 0.52
MAPK10 P53779 3/20 0.52
HIPK1 Q86Z02 1/20 0.50
GAA P10253 7/20 0.47
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
ALOX15 P16050 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 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
SCHEMBL4341796 0.88 MAPK1 (0.63) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL630551 0.84 GAA (0.51) MAPK1AURKBYES1NTRK1HIPK1
SCHEMBL629138 0.84 MAPK1 (0.64) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL629169 0.81 MAPK1 (0.88) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL629476 0.79 MAPK1 (0.60) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL629495 0.78 MAPK1 (0.61) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL629863 0.78 MAPK1 (0.61) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL630312 0.77 MAPK1 (0.60) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL630389 0.77 MAPK1 (0.60) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL1933008 0.75 MAPK1 (1.00) MAPK1AURKBYES1NTRK1PIK3CA

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US claimed
EP-2241557-A1 Chinoxalin derivatives and use thereof for treating malignant and benign tumour illnesses Æterna Zentaris GmbH (DE) 2010-10-20 EP claimed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US disclosed
EP-2107092-B1 Pressure-sensitive adhesive composition, pressure-sensitive adhesive sheets, and surface protecting film NITTO DENKO CORP (JP) 2012-06-27 EP disclosed
EP-2419411-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS Æterna Zentaris GmbH (DE) 2012-02-22 EP disclosed
EP-2258782-A2 Pressure-sensitive adhesive composition, pressure-sensitive adhesive sheets, and surface protecting film NITTO DENKO CORPORATION (JP) 2010-12-08 EP disclosed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US disclosed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US disclosed
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS AETERNA ZENTARIS GMBH (DE) 2010-10-21 US disclosed
EP-2241557-A1 Chinoxalin derivatives and use thereof for treating malignant and benign tumour illnesses Æterna Zentaris GmbH (DE) 2010-10-20 EP disclosed
EP-2241604-A1 Pressure-sensitive adhesive composition, pressure-sensitive adhesive sheets, and surface protecting film NITTO DENKO CORPORATION (JP) 2010-10-20 EP disclosed
EP-2241557-A1 Chinoxalin derivatives and use thereof for treating malignant and benign tumour illnesses Æterna Zentaris GmbH (DE) 2010-10-20 EP disclosed
WO-2010115719-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS ÆTERNA ZENTARIS GMBH (DE) 2010-10-14 WO disclosed
WO-2010115719-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS ÆTERNA ZENTARIS GMBH (DE) 2010-10-14 WO disclosed
EP-2107092-A1 Pressure-sensitive adhesive composition, pressure-sensitive adhesive sheets, and surface protecting film Nitto Denko Corporation (JP) 2009-10-07 EP disclosed
EP-2105484-A1 Pressure-sensitive adhesive composition, pressure-sensitive adhesive sheets, and surface protecting film Nitto Denko Corporation (JP) 2009-09-30 EP disclosed
EP-1693430-A2 Pressure-sensitive adhesive compositions, pressure-sensitive adhesive sheets, and double-sided pressure-sensitive adhesive tapes Nitto Denko Corporation (JP) 2006-08-23 EP disclosed
EP-1621596-A2 Pressure-sensitive adhesive composition, pressure-sensitive adhesive sheets, and surface protecting film Nitto Denko Corporation (JP) 2006-02-01 EP 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 (1 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-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS NQO2, G6PD, GLS2 MAPK1 2140/4885AURKB 2506/4885YES1 1732/4885

“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.