SCHEMBL1932385

SCHEMBL1932385

COc1cc(-c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 9/20 1.00
MAPK1 P28482 3/20 0.65
YES1 P07947 2/20 0.65
NTRK1 P04629 1/20 0.65
RAF1 P04049 4/20 0.43
BRAF P15056 4/20 0.43
GAK O14976 3/20 0.42
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
FGFR1 P11362 1/20 0.40
TGFBR1 P36897 1/20 0.40
FYN P06241 1/20 0.39

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
SCHEMBL1933604 0.92 AURKB (1.00) AURKBMAPK1YES1NTRK1GAK
SCHEMBL1933378 0.86 AURKB (0.85) AURKBMAPK1YES1NTRK1RAF1
SCHEMBL1933078 0.84 AURKB (0.73) AURKBMAPK1YES1NTRK1RAF1
SCHEMBL1933961 0.79 AURKB (0.66) AURKBMAPK1YES1NTRK1FGFR1
SCHEMBL1933008 0.79 MAPK1 (1.00) AURKBMAPK1YES1NTRK1CHEK1
SCHEMBL1933460 0.78 AURKB (1.00) AURKBMAPK1YES1GAK
SCHEMBL629169 0.76 MAPK1 (0.88) AURKBMAPK1YES1NTRK1RAF1
SCHEMBL1933004 0.76 AURKB (1.00) AURKBMAPK1YES1NTRK1TGFBR1
SCHEMBL1933360 0.75 AURKB (0.62) AURKBMAPK1FGFR1
SCHEMBL27886377 0.74 AURKB (0.82) AURKBMAPK1YES1GAK

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
EP-2504336-B1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS ÆTERNA ZENTARIS GMBH (DE) 2016-03-30 EP claimed
EP-2504336-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS Æterna Zentaris GmbH (DE) 2012-10-03 EP claimed
US-20110150831-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS AETERNA ZENTARIS GMBH (DE) 2011-06-23 US claimed
EP-2332939-A1 Novel Naphthyridine derivatives and the use thereof as kinase inhibitors Æterna Zentaris GmbH (DE) 2011-06-15 EP claimed
WO-2011064250-A1 NOVEL NAPHTHYRIDINE DERIVATIVES AND THE USE THEREOF AS KINASE INHIBITORS ÆTERNA ZENTARIS GMBH (DE) 2011-06-03 WO claimed
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
EP-2332939-A1 Novel Naphthyridine derivatives and the use thereof as kinase inhibitors Æterna Zentaris GmbH (DE) 2011-06-15 EP disclosed
EP-2332939-A1 Novel Naphthyridine derivatives and the use thereof as kinase inhibitors Æterna Zentaris GmbH (DE) 2011-06-15 EP 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 389/4885MAPK1 26/4885YES1 97/4885

“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.