SCHEMBL969464

SCHEMBL969464

Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2cn[nH]c2)c2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 1/20 0.39
APLNR P35414 2/20 0.38
POLB P06746 2/20 0.37
NTRK1 P04629 1/20 0.37
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
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 1/20 0.35
EGFR P00533 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL969732 0.88 RAB9A (0.44) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL966296 0.87 NPC1 (0.42) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL968387 0.87 SMN1; SMN2 (0.44) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL967385 0.85 NPC1 (0.42) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL967551 0.85 NPC1 (0.57) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL966861 0.83 NPC1 (0.43) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL966883 0.83 SUCNR1 (0.43) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL966724 0.83 RAB9A (0.42) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL967419 0.83 NPC1 (0.42) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1
SCHEMBL968679 0.83 NPC1 (0.40) NPC1RAB9AHPGDSMN1; SMN2L3MBTL1

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
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US 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 NPC1 220/4885RAB9A 2668/4885HPGD 1538/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR NPC1 220/4885RAB9A 2668/4885HPGD 1538/4885

“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.