SCHEMBL629476

SCHEMBL629476

COc1cc(-c2ccc3ncc(NC(=O)NCc4ccccc4)nc3c2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 13/20 0.60
AURKB Q96GD4 6/20 0.60
YES1 P07947 4/20 0.60
NTRK1 P04629 2/20 0.60
HIPK1 Q86Z02 1/20 0.57
PIK3CA P42336 5/20 0.56
MAPK8 P45983 5/20 0.56
MAPK9 P45984 5/20 0.56
MAPK10 P53779 5/20 0.56
PIM1 P11309 2/20 0.49
ABL1 P00519 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
MET P08581 1/20 0.48
PTPN1 P18031 1/20 0.45
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44

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
SCHEMBL3636979 0.88 MAPK1 (0.68) MAPK1AURKBYES1NTRK1PIK3CA
SCHEMBL629138 0.86 MAPK1 (0.64) MAPK1AURKBYES1NTRK1HIPK1
SCHEMBL629495 0.83 MAPK1 (0.61) MAPK1AURKBYES1NTRK1HIPK1
SCHEMBL629169 0.81 MAPK1 (0.88) MAPK1AURKBYES1NTRK1HIPK1
SCHEMBL3639973 0.79 MAPK1 (0.68) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL629012 0.79 MAPK1 (0.60) MAPK1AURKBYES1NTRK1HIPK1
SCHEMBL629863 0.78 MAPK1 (0.61) MAPK1AURKBYES1NTRK1HIPK1
SCHEMBL4350116 0.78 MAPK1 (0.73) MAPK1PIK3CAMAPK8MAPK9MAPK10
SCHEMBL4354044 0.77 MAPK1 (0.69) MAPK1AURKBYES1NTRK1HIPK1
SCHEMBL4341721 0.77 MAPK1 (0.67) MAPK1AURKBYES1NTRK1HIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394801-B2 Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH (DE) 2013-03-12 US 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
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-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 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.