SCHEMBL1933873

SCHEMBL1933873

O=C(NCc1ccccc1)Nc1ccnc2cc(Br)cnc12

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.64
TRPV1 Q8NER1 1/20 0.48
CFD P00746 1/20 0.46
MET P08581 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 2/20 0.45
GSK3B P49841 1/20 0.45
POLB P06746 1/20 0.44
IMPDH2 P12268 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL1932994 0.89 AURKB (0.65) AURKBTRPV1METSMN1; SMN2KDM4E
SCHEMBL1934167 0.86 AURKB (0.57) AURKBSMN1; SMN2KDM4EPOLBKDR
SCHEMBL1933647 0.83 AURKB (0.61) AURKBTRPV1SMN1; SMN2IMPDH2MEN1
SCHEMBL1933839 0.83 AURKB (0.61) AURKB
SCHEMBL1961793 0.81 AURKB (0.51) AURKBSMN1; SMN2POLBHTT
SCHEMBL1933170 0.80 LMNA (0.51) AURKBSMN1; SMN2MEN1KMT2AHTT
SCHEMBL1932399 0.80 AURKB (0.45) AURKBTRPV1GSK3BKDR
SCHEMBL1933597 0.79 RAB9A (0.59) AURKBSMN1; SMN2POLBHTT
SCHEMBL1932160 0.78 AURKB (1.00) AURKBMETGSK3B
SCHEMBL1933369 0.77 RAB9A (0.54) AURKBSMN1; SMN2KDRHTTALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504336-B1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS ÆTERNA ZENTARIS GMBH (DE) 2016-03-30 EP disclosed
EP-2504336-B1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS ÆTERNA ZENTARIS GMBH (DE) 2016-03-30 EP disclosed
US-8461178-B2 Naphthyridine derivatives and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2013-06-11 US disclosed
US-8461178-B2 Naphthyridine derivatives and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2013-06-11 US disclosed
US-8461178-B2 Naphthyridine derivatives and the use thereof as kinase inhibitors AETERNA ZENTARIS GMBH (DE) 2013-06-11 US disclosed
EP-2504336-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS Æterna Zentaris GmbH (DE) 2012-10-03 EP disclosed
US-20110150831-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS AETERNA ZENTARIS GMBH (DE) 2011-06-23 US disclosed
US-20110150831-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS AETERNA ZENTARIS GMBH (DE) 2011-06-23 US disclosed
US-20110150831-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS AETERNA ZENTARIS GMBH (DE) 2011-06-23 US disclosed
WO-2011064250-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS ÆTERNA ZENTARIS GMBH (DE) 2011-06-03 WO disclosed
WO-2011064250-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS ÆTERNA ZENTARIS GMBH (DE) 2011-06-03 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-20110150831-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS MAP3K1, MAP3K20, MAP3K2 AURKB 389/4885TRPV1 3479/4885CFD 4648/4885

“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.