SCHEMBL970545

SCHEMBL970545

NC(=O)Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.38
NR3C2 P08235 1/20 0.37
LCLAT1 Q6UWP7 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
RPS6KB1 P23443 1/20 0.35
RAB9A P51151 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
APLNR P35414 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL971578 0.92 CYP17A1 (0.41) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL966751 0.91 NPC1 (0.39) THRBNR3C2SMN1; SMN2HPGDPOLB
SCHEMBL967819 0.88 APLNR (0.38) MAPTTHRBSMN1; SMN2RPS6KB1APLNR
SCHEMBL967903 0.86 CYP1A2 (0.43) MAPTSMN1; SMN2HPGDLMNAHDAC6
SCHEMBL968711 0.86 MAOB (0.39) THRBSMN1; SMN2HPGDPOLBNPC1
SCHEMBL969393 0.86 NPC1 (0.40) THRBSMN1; SMN2HPGDPOLBNPC1
SCHEMBL968926 0.85 HDAC6 (0.39) THRBSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL969732 0.83 RAB9A (0.44) SMN1; SMN2HPGDPOLBNPC1RAB9A
SCHEMBL966340 0.83 NPC1 (0.41) MAPTSMN1; SMN2HPGDPOLBNPC1
SCHEMBL969487 0.83 MEN1 (0.40) MAPTSMN1; SMN2HPGDPOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP claimed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO 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 MAPT 1418/4885THRB 4096/4885NR3C2 2660/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR MAPT 1418/4885THRB 4096/4885NR3C2 2660/4885

“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.