SCHEMBL967039

SCHEMBL967039

Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)ncc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 4/20 0.45
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
APLNR P35414 2/20 0.38
GPR55 Q9Y2T6 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP2 P08253 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 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
SCHEMBL968017 0.90 RAB9A (0.49) RAB9AHPGDSMN1; SMN2L3MBTL1NPC1
SCHEMBL967755 0.85 NPC1 (0.44) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL13255478 0.83 HPGD (0.47) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL13118353 0.82 NPC1 (0.49) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL15197866 0.81 RAB9A (0.44) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL965834 0.81 NPC1 (0.44) RAB9ASMN1; SMN2L3MBTL1NPC1POLB
SCHEMBL968666 0.80 RPS6KB1 (0.41) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL969732 0.80 RAB9A (0.44) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL966913 0.80 HPGD (0.42) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL970508 0.80 L3MBTL1 (0.42) RAB9AHPGDSMN1; SMN2TP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 2668/4885HPGD 1538/4885SMN1; SMN2 4318/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR RAB9A 2668/4885HPGD 1538/4885SMN1; SMN2 4318/4885

“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.