SCHEMBL629962

SCHEMBL629962

COc1ccc(-c2ccc3ncc(NC(=O)NC4CCN(C(=O)C(F)(F)F)CC4)nc3c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.54
YES1 P07947 3/20 0.54
AURKB Q96GD4 3/20 0.54
HIPK1 Q86Z02 1/20 0.51
TYRO3 Q06418 3/20 0.51
MERTK Q12866 3/20 0.51
AXL P30530 2/20 0.51
PIK3CA P42336 3/20 0.48
PIK3CD O00329 2/20 0.48
PIK3CG P48736 2/20 0.48
PIK3CB P42338 1/20 0.48
NTRK1 P04629 1/20 0.48
JAK2 O60674 2/20 0.46
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
PDE4B Q07343 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 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
SCHEMBL629034 0.94 MAPK1 (0.56) MAPK1YES1AURKBHIPK1TYRO3
SCHEMBL4357653 0.89 MAPK1 (0.52) MAPK1YES1AURKBTYRO3MERTK
SCHEMBL629662 0.86 MAPK1 (0.60) MAPK1YES1AURKBHIPK1PIK3CA
SCHEMBL629166 0.85 MAPK1 (0.59) MAPK1YES1AURKBHIPK1PIK3CA
SCHEMBL3638515 0.84 MAPK1 (0.54) MAPK1YES1AURKBTYRO3MERTK
SCHEMBL14020877 0.81 MAPK1 (0.51) MAPK1YES1AURKBHIPK1TYRO3
SCHEMBL629863 0.80 MAPK1 (0.61) MAPK1YES1AURKBHIPK1PIK3CA
SCHEMBL15726096 0.80 MAPK1 (0.69) MAPK1YES1AURKBHIPK1PIK3CA
SCHEMBL630312 0.79 MAPK1 (0.60) MAPK1YES1AURKBHIPK1PIK3CA
SCHEMBL630389 0.79 MAPK1 (0.60) MAPK1YES1AURKBHIPK1PIK3CA

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 16 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
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
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 2140/4885YES1 1732/4885AURKB 2506/4885

“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.