SCHEMBL965982

SCHEMBL965982

Oc1c(-c2nnc(Cc3ccccc3)[nH]2)ncc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.39
PAX8 Q06710 1/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
FEN1 P39748 1/20 0.37
RNASEH1 O60930 2/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITK Q08881 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC2A1 P11166 1/20 0.34

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
SCHEMBL966900 0.92 KDM4E (0.34) EGLN1TSHRFEN1KDM4ENPC1
SCHEMBL966727 0.91 KDM4E (0.38) EGLN1KDM4ENPC1L3MBTL1
SCHEMBL969824 0.90 KDM4E (0.39) KDM4ENPC1L3MBTL1
SCHEMBL968019 0.90 EGLN1 (0.42) EGLN1PAX8GAAKDM4EL3MBTL1
SCHEMBL966035 0.89 EGLN1 (0.42) EGLN1FEN1RNASEH1KDM4ENPC1
SCHEMBL12919889 0.88 MEN1 (0.42) GAAKDM4ENPC1L3MBTL1ALDH1A1
SCHEMBL967559 0.87 LMNA (0.40)
SCHEMBL968724 0.84 LMNA (0.43) EGLN1L3MBTL1
SCHEMBL965993 0.84 ADRA2A (0.43) PAX8GAAKDM4ENPC1L3MBTL1
SCHEMBL12919885 0.82 CBFB (0.39) EGLN1RNASEH1ALDH1A1

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 3590/4885PAX8 4869/4885GAA 459/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR EGLN1 3590/4885PAX8 4869/4885GAA 459/4885

“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.