SCHEMBL629455

SCHEMBL629455

COc1ccc(NC(=O)Nc2cnc3ccc(-c4cc(C)c(O)c(C)c4)cc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
AURKB Q96GD4 4/20 0.55
ABL1 P00519 1/20 0.55
PIM1 P11309 1/20 0.55
MAPT P10636 5/20 0.54
RAB9A P51151 7/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
POLB P06746 4/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
EGFR P00533 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GBA1 P04062 1/20 0.48
ATM Q13315 1/20 0.47
YES1 P07947 3/20 0.47
NTRK1 P04629 1/20 0.47
PIK3CA P42336 1/20 0.47

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 0.89 EGFR (0.53) MAPK1AURKBMAPTRAB9ANPC1
SCHEMBL629467 0.87 EGFR (0.61) MAPK1AURKBABL1PIM1MAPT
SCHEMBL629420 0.86 EGFR (0.52) MAPK1AURKBABL1PIM1MAPT
SCHEMBL629365 0.85 EGFR (0.54) MAPK1AURKBABL1PIM1MAPT
SCHEMBL630200 0.83 RAB9A (0.53) MAPK1AURKBMAPTRAB9ANPC1
SCHEMBL629296 0.82 MAPK1 (0.46) MAPK1AURKBABL1PIM1EGFR
SCHEMBL629413 0.81 EGFR (0.49) MAPK1AURKBABL1MAPTRAB9A
SCHEMBL629397 0.80 EGFR (0.51) MAPK1AURKBMAPTRAB9ANPC1
SCHEMBL629704 0.79 ABL1 (0.45) MAPK1AURKBABL1PIM1EGFR
SCHEMBL630518 0.79 AURKB (0.61) MAPK1AURKBABL1PIM1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9340526-B2 Process for preparing pyridyl-substituted pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-05-17 US disclosed
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-09 US disclosed
US-8987460-B2 Process for preparing pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2015-03-24 US disclosed
EP-2414345-B1 Method for manufacturing Pyridyl-substituted pyrazoles BAYER CROPSCIENCE AG (DE) 2014-09-17 EP disclosed
US-20130131347-A1 Process for Preparing Pyridyl-Substituted Pyrazoles BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-23 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
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-2243777-A1 Method for manufacturing Pyridyl-substituted pyrazoles Bayer CropScience AG (DE) 2010-10-27 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 (3 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-20130131347-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 MAPK1 744/4885AURKB 107/4885ABL1 1278/4885
US-20100266538-A1 QUINOXALINE DERIVATIVES AND THEIR USE FOR TREATING BENIGN AND MALIGNANT TUMOUR DISORDERS NQO2, G6PD, GLS2 MAPK1 2140/4885AURKB 2506/4885ABL1 531/4885
US-20150191447-A1 Process for Preparing Pyridyl-Substituted Pyrazoles PDXK, PLK2, WNK3 MAPK1 744/4885AURKB 107/4885ABL1 1278/4885

“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.