SCHEMBL1933760

SCHEMBL1933760

CC(C)NC(=O)Nc1ccnc2cc(Br)cnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.48
AURKB Q96GD4 7/20 0.43
FPR2 P25090 5/20 0.39
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
HTR2C P28335 2/20 0.36
ADORA2A P29274 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2B P41595 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.35

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
SCHEMBL1933360 0.82 AURKB (0.62) MAPK1AURKBHCRTR1HCRTR2HTR2C
SCHEMBL1933839 0.82 AURKB (0.61) MAPK1AURKBNPC1RAB9A
SCHEMBL1961793 0.80 AURKB (0.51) MAPK1AURKBMAPTNPC1RAB9A
SCHEMBL1933647 0.80 AURKB (0.61) MAPK1AURKBHCRTR1HCRTR2HTR2C
SCHEMBL1932471 0.79 HTT (0.44) MAPK1AURKBMEN1KMT2ANPC1
SCHEMBL1934691 0.79 RAB9A (0.47) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1933924 0.79 HTT (0.49) MAPK1AURKBMEN1KMT2AALDH1A1
SCHEMBL1933597 0.78 RAB9A (0.59) MAPK1AURKBMAPTNPC1RAB9A
SCHEMBL1932343 0.77 AURKB (0.74) MAPK1AURKB
SCHEMBL1933170 0.77 LMNA (0.51) MAPK1AURKBMEN1KMT2ATP53

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 10 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
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 MAPK1 26/4885AURKB 389/4885FPR2 2171/4885

“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.