SCHEMBL629372

SCHEMBL629372

O=C(Nc1cnc2ccc(-c3ccccc3)cc2n1)NC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
JAK3 P52333 1/20 0.56
EPHX1 P07099 2/20 0.49
MAP4K4 O95819 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EPHX2 P34913 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 2/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
RIPK1 Q13546 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EGFR P00533 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL15726100 0.91 MAPK1 (0.54) JAK2JAK1JAK3EPHX1LMNA
SCHEMBL629232 0.86 JAK2 (0.53) JAK2JAK1JAK3EPHX1MAP4K4
SCHEMBL630388 0.86 JAK2 (0.53) JAK2JAK1JAK3RAB9AMAPK1
SCHEMBL630323 0.85 JAK2 (0.54) JAK2JAK1JAK3LMNASMN1; SMN2
SCHEMBL30472973 0.85 JAK2 (0.54) JAK2JAK1JAK3EPHX1MAP4K4
SCHEMBL629077 0.85 JAK2 (0.54) JAK2JAK1JAK3EPHX1SMN1; SMN2
SCHEMBL630481 0.85 JAK2 (0.54) JAK2JAK1JAK3LMNASMN1; SMN2
SCHEMBL629824 0.85 JAK2 (0.54) JAK2JAK1JAK3EPHX1SMN1; SMN2
SCHEMBL629662 0.84 MAPK1 (0.60) JAK2JAK1JAK3LMNAMAPK1
SCHEMBL15726134 0.83 MAPK1 (0.51) JAK2JAK1JAK3EPHX1SMN1; SMN2

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 18 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
CN-102378758-A Quinoxaline derivatives and their use for treating benign and malignant tumour disorders AETERNA ZENTARIS GMBH 2012-03-14 CN 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
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 JAK2 1694/4885JAK1 2108/4885JAK3 2391/4885

“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.