SCHEMBL967766

SCHEMBL967766

CS(=O)(=O)Nc1ccc(-c2nc(-c3ncc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KIT P10721 1/20 0.37
ALOX5 P09917 1/20 0.37
PARP1 P09874 1/20 0.36
MAP2K4 P45985 1/20 0.36
ADRB2 P07550 5/20 0.35
ADRB1 P08588 5/20 0.35
ADRB3 P13945 5/20 0.35
GLO1 Q04760 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PTGS2 P35354 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL971487 0.88 HDAC6 (0.41) GSK3BHDAC6KITALOX5MAP2K4
SCHEMBL967903 0.79 CYP1A2 (0.43) HDAC6KITLMNAMEN1USP2
SCHEMBL967613 0.78 PARP1 (0.42) ALOX5PARP1LMNAMEN1CYP3A4
SCHEMBL967882 0.76 PTGS2 (0.44) PTGS2COMT
SCHEMBL969487 0.75 MEN1 (0.40) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL14516419 0.75 NPC1 (0.41) HDAC6PARP1LMNAUSP2KMT2A
SCHEMBL969627 0.74 NPC1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL966890 0.74 TP53 (0.39) HDAC6PARP1HPGDSMN1; SMN2COMT
SCHEMBL967421 0.74 NPC1 (0.42) KDM4EALDH1A1
SCHEMBL966751 0.73 NPC1 (0.39) HDAC6USP2ALDH1A1HPGDSMN1; SMN2

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
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
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

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 GSK3B 779/4885HDAC6 3003/4885KIT 4423/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR GSK3B 779/4885HDAC6 3003/4885KIT 4423/4885

“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.