SCHEMBL966727

SCHEMBL966727

Oc1c(-c2nnc(Cc3cccnc3)[nH]2)ncc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
TBXAS1 P24557 4/20 0.37
CACNA1H O95180 1/20 0.37
ALOX5 P09917 1/20 0.37
LTB4R Q15722 1/20 0.37
MMP2 P08253 1/20 0.36
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL965982 0.91 EGLN1 (0.39) KDM4ENPC1L3MBTL1EGLN1
SCHEMBL966900 0.89 KDM4E (0.34) KDM4ENPC1RAB9AL3MBTL1EGLN1
SCHEMBL12919889 0.85 MEN1 (0.42) KDM4ENPC1RAB9AL3MBTL1KMT2A
SCHEMBL969824 0.85 KDM4E (0.39) KDM4ENPC1RAB9AL3MBTL1MMP2
SCHEMBL968019 0.85 EGLN1 (0.42) KDM4ERAB9AL3MBTL1EGLN1KMT2A
SCHEMBL967559 0.84 LMNA (0.40) ALOX5KMT2A
SCHEMBL966035 0.82 EGLN1 (0.42) KDM4ENPC1RAB9AL3MBTL1EGLN1
SCHEMBL968724 0.82 LMNA (0.43) RAB9AL3MBTL1EGLN1KMT2A
SCHEMBL969598 0.80 POLB (0.43) KDM4ERAB9A
SCHEMBL12919885 0.80 CBFB (0.39) EGLN1

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 KDM4E 2029/4885NPC1 220/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR KDM4E 2029/4885NPC1 220/4885RAB9A 2668/4885

“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.