SCHEMBL629967

SCHEMBL629967

O=C(Nc1ccccc1)Nc1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
MAPK1 P28482 3/20 0.54
AURKB Q96GD4 3/20 0.54
PIK3CA P42336 2/20 0.47
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47
MAPK10 P53779 2/20 0.47
CNR1 P21554 6/20 0.46
CNR2 P34972 1/20 0.46
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
PIM1 P11309 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
FLT3 P36888 1/20 0.42
PIM3 Q86V86 1/20 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 0.86 EGFR (0.61) EGFRMAPK1AURKBKMT2ASMN1; SMN2
SCHEMBL629392 0.83 MAPK1 (0.58) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL630406 0.82 MAPK1 (0.60) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL630353 0.82 PIK3CA (0.69) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL629325 0.82 MAPK1 (0.49) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL630360 0.81 MAPK1 (0.55) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL629127 0.81 MAPK1 (0.54) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL629138 0.81 MAPK1 (0.64) EGFRMAPK1AURKBPIK3CAMAPK8
SCHEMBL629706 0.80 MAPK1 (0.58) MAPK1AURKBPIK3CAMAPK8MAPK9
SCHEMBL630388 0.79 JAK2 (0.53) MAPK1PIK3CAMAPK8MAPK9MAPK10

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 12 patents. 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
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
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 3779/4885MAPK1 2140/4885AURKB 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.