SCHEMBL970508

SCHEMBL970508

CNc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
TP53 P04637 3/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.38
APLNR P35414 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
PARP1 P09874 1/20 0.36
CDC7 O00311 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CALCA P06881 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL967602 0.89 TP53 (0.39) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL966890 0.89 TP53 (0.39) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL967067 0.88 ALOX12 (0.41) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL15197866 0.88 RAB9A (0.44) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL967090 0.87 COMT (0.38) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL965525 0.87 GSK3A (0.39) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL3559789 0.87 TP53 (0.39) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL13118353 0.86 NPC1 (0.49) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL969907 0.86 NPSR1 (0.39) L3MBTL1TP53RAB9AHPGDSMN1; SMN2
SCHEMBL968024 0.85 APLNR (0.41) L3MBTL1TP53RAB9AHPGDSMN1; 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127914-B1 Foamed starch sheet NOVAMONT SPA (IT) 2009-02-18 EP claimed
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 L3MBTL1 2808/4885TP53 1946/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR L3MBTL1 2808/4885TP53 1946/4885RAB9A 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.