SCHEMBL629467

SCHEMBL629467

Cc1cc(-c2ccc3ncc(NC(=O)Nc4ccccc4)nc3c2)cc(C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.61
AURKB Q96GD4 8/20 0.57
MAPK1 P28482 7/20 0.57
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
KMT2A Q03164 2/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
MEN1 O00255 1/20 0.45
GBA1 P04062 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
YES1 P07947 4/20 0.43
NTRK1 P04629 2/20 0.43
FLT3 P36888 2/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL630415 0.91 EGFR (0.53) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL629365 0.89 EGFR (0.54) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL629413 0.89 EGFR (0.49) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL629397 0.88 EGFR (0.51) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL629420 0.88 EGFR (0.52) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL629455 0.87 MAPK1 (0.55) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL629967 0.86 EGFR (0.58) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL629296 0.86 MAPK1 (0.46) EGFRAURKBMAPK1KDM4EHSP90AA1
SCHEMBL630200 0.85 RAB9A (0.53) EGFRAURKBMAPK1NPC1RAB9A
SCHEMBL4354808 0.84 EGFR (0.51) EGFRAURKBMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102378758-A Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH 2012-03-14 CN claimed
EP-2419411-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS Æterna Zentaris GmbH (DE) 2012-02-22 EP claimed
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
WO-2010115719-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS ÆTERNA ZENTARIS GMBH (DE) 2010-10-14 WO 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
CN-102378758-A Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH 2012-03-14 CN 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
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-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

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 EGFR 3779/4885AURKB 2506/4885MAPK1 2140/4885

“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.