SCHEMBL629121

SCHEMBL629121

CCCNC(=O)Nc1cnc2ccc(-c3cc(C)c(O)c(C)c3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 16/20 0.51
AURKB Q96GD4 6/20 0.51
YES1 P07947 4/20 0.51
HIPK1 Q86Z02 1/20 0.51
PIM1 P11309 2/20 0.50
ABL1 P00519 1/20 0.50
NTRK1 P04629 2/20 0.46
PIK3CA P42336 13/20 0.45
MAPK8 P45983 9/20 0.44
MAPK9 P45984 9/20 0.44
MAPK10 P53779 9/20 0.44
ATM Q13315 1/20 0.43
MAPK14 Q16539 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
SCHEMBL629176 0.94 MAPK1 (0.49) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL629375 0.93 MAPK1 (0.48) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL629015 0.92 MAPK1 (0.48) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL629400 0.92 MAPK1 (0.48) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL629037 0.91 MAPK1 (0.61) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL629706 0.88 MAPK1 (0.58) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL628977 0.86 MAPK1 (0.48) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL629423 0.86 MAPK1 (0.48) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL629296 0.85 MAPK1 (0.46) MAPK1AURKBYES1HIPK1PIM1
SCHEMBL9972561 0.85 PIK3CA (0.57) 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 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 2140/4885AURKB 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.