SCHEMBL966035

SCHEMBL966035

Oc1c(-c2nnc(CCc3ccccc3)[nH]2)ncc2cccnc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.42
DAO P14920 1/20 0.40
KDM4E B2RXH2 3/20 0.40
RNASEH1 O60930 1/20 0.38
PDE10A Q9Y233 1/20 0.37
FEN1 P39748 1/20 0.37
GLO1 Q04760 3/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL965982 0.89 EGLN1 (0.39) EGLN1KDM4ERNASEH1FEN1NPC1
SCHEMBL966727 0.82 KDM4E (0.38) EGLN1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL966900 0.81 KDM4E (0.34) EGLN1KDM4EFEN1NPC1RAB9A
SCHEMBL12919889 0.80 MEN1 (0.42) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL969824 0.79 KDM4E (0.39) KDM4ENPC1RAB9AL3MBTL1MMP2
SCHEMBL968019 0.79 EGLN1 (0.42) EGLN1KDM4ERAB9AL3MBTL1
SCHEMBL967559 0.79 LMNA (0.40) DAO
SCHEMBL965993 0.78 ADRA2A (0.43) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL968724 0.76 LMNA (0.43) EGLN1DAORAB9AL3MBTL1
SCHEMBL969598 0.74 POLB (0.43) KDM4EPDE10ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US claimed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 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 (2 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR EGLN1 3590/4885DAO 2237/4885KDM4E 2029/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR EGLN1 3590/4885DAO 2237/4885KDM4E 2029/4885

“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.