SCHEMBL966823

SCHEMBL966823

O=C1CCCN1c1nc(-c2nnc(Cc3ccccc3)o2)c(O)c2ncccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 4/20 0.39
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
RIPK1 Q13546 7/20 0.36
PAX8 Q06710 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MITF O75030 2/20 0.34
CDC7 O00311 1/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL968379 0.92 CALCA (0.41) CALCAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL967176 0.91 CALCA (0.43) CALCAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL967035 0.90 CALCA (0.43) CALCAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL965725 0.87 RAB9A (0.37) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL968230 0.83 GRIA1 (0.38) CALCAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL968710 0.82 CALCA (0.38) CALCASMN1; SMN2PAX8L3MBTL1KDM4E
SCHEMBL971586 0.81 GRIA1 (0.44) CALCAALDH1A1KDM4E
SCHEMBL969933 0.81 CALCA (0.41) CALCAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL965382 0.80 CALCA (0.39) CALCAHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL965304 0.80 CALCA (0.41) CALCAHPGDNPC1RAB9ASMN1; 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 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 CALCA 4461/4885HPGD 1538/4885NPC1 220/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885HPGD 1538/4885NPC1 220/4885

“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.