SCHEMBL629473

SCHEMBL629473

COc1ccc(CCNC(=O)N(S)c2cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc3n2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 1/20 0.44
YES1 P07947 1/20 0.43
MAPK1 P28482 1/20 0.43
HIPK1 Q86Z02 1/20 0.43
AURKB Q96GD4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
GAA P10253 1/20 0.43
MELK Q14680 1/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL629487 0.90 SMN1; SMN2 (0.43) ATMMAPTMAPK1AURKBSMN1; SMN2
SCHEMBL630001 0.87 MELK (0.42) ATMMAPK1MELK
SCHEMBL629475 0.85 NPC1 (0.43) ATMMAPTYES1MAPK1AURKB
SCHEMBL3054824 0.84 MAPK1 (0.58) CA1CA2ATMMAPTYES1
SCHEMBL629867 0.83 ATM (0.50) ATMMAPK1MELK
SCHEMBL630572 0.82 NAMPT (0.44) ATMSMN1; SMN2GAAMELKKMT2A
SCHEMBL630347 0.81 MAPK1 (0.51) ATMYES1MAPK1HIPK1AURKB
SCHEMBL629472 0.81 MAPT (0.50) CA1CA2ATMMAPTYES1
SCHEMBL629873 0.80 ATM (0.49) ATMMAPK1MELK
SCHEMBL629308 0.80 MAPK1 (0.41) ATMYES1MAPK1AURKBMELK

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 8 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
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
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
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 CA1 2122/4885CA2 973/4885ATM 2494/4885

“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.