SCHEMBL629413

SCHEMBL629413

Cc1cc(-c2ccc3ncc(NC(=O)Nc4cccnc4)nc3c2)cc(C)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
KMT2A Q03164 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 2/20 0.48
ATM Q13315 1/20 0.48
TSHR P16473 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
PIK3CA P42336 1/20 0.47
MAPK1 P28482 1/20 0.46
AURKB Q96GD4 1/20 0.46
ABL1 P00519 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
TAAR1 Q96RJ0 1/20 0.43
CYP1A2 P05177 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL629467 0.89 EGFR (0.61) EGFRKMT2AMAPTMEN1ATM
SCHEMBL630415 0.85 EGFR (0.53) EGFRKMT2AMAPTNPC1RAB9A
SCHEMBL629397 0.84 EGFR (0.51) EGFRKMT2AMAPTMEN1TSHR
SCHEMBL629420 0.84 EGFR (0.52) EGFRKMT2AMAPTMEN1LMNA
SCHEMBL629365 0.83 EGFR (0.54) EGFRKMT2AMAPTMEN1NPC1
SCHEMBL629296 0.82 MAPK1 (0.46) EGFRPIK3CAMAPK1AURKBABL1
SCHEMBL629455 0.81 MAPK1 (0.55) EGFRKMT2AMAPTMEN1LMNA
SCHEMBL630200 0.81 RAB9A (0.53) EGFRKMT2AMAPTMEN1LMNA
SCHEMBL629704 0.79 ABL1 (0.45) EGFRATMPIK3CAMAPK1AURKB
SCHEMBL630518 0.79 AURKB (0.61) EGFRATMNPC1RAB9APIK3CA

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 15 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
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
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 3779/4885KMT2A 2320/4885MAPT 4014/4885

“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.