SCHEMBL968724

SCHEMBL968724

COc1cccc(Cc2nnc(-c3ncc4cccnc4c3O)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
OPRK1 P41145 1/20 0.42
KMT2A Q03164 1/20 0.42
FGFR1 P11362 1/20 0.41
FGFR4 P22455 1/20 0.41
EGLN1 Q9GZT9 3/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
DHFR P00374 1/20 0.39
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL12919889 0.88 MEN1 (0.42) LMNAMAPTMEN1OPRK1KMT2A
SCHEMBL969598 0.86 POLB (0.43) LMNAMAPTPOLBPDE4APDE4B
SCHEMBL12919885 0.86 CBFB (0.39) POLBEGLN1
SCHEMBL967559 0.85 LMNA (0.40) LMNATP53MAPTMEN1POLB
SCHEMBL965982 0.84 EGLN1 (0.39) EGLN1L3MBTL1
SCHEMBL966727 0.82 KDM4E (0.38) KMT2AEGLN1RAB9AL3MBTL1
SCHEMBL966900 0.81 KDM4E (0.34) EGLN1PDE4APDE4BPDE4CPDE4D
SCHEMBL969824 0.79 KDM4E (0.39) TP53MEN1KMT2ARAB9AL3MBTL1
SCHEMBL968019 0.79 EGLN1 (0.42) LMNATP53MAPTPOLBHSP90AA1
SCHEMBL966035 0.76 EGLN1 (0.42) EGLN1RAB9AL3MBTL1DAO

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 13 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-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 LMNA 2352/4885TP53 1946/4885MAPT 1418/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR LMNA 2352/4885TP53 1946/4885MAPT 1418/4885

“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.