SCHEMBL968017

SCHEMBL968017

Oc1c(-c2nnc(Cc3ccccc3)o2)ncc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 4/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
FEN1 P39748 1/20 0.40
EGLN1 Q9GZT9 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CA P42336 1/20 0.37
ATR Q13535 1/20 0.37

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
SCHEMBL967039 0.90 RAB9A (0.46) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL966162 0.79 NPC1 (0.56) RAB9ASMN1; SMN2NPC1L3MBTL1FEN1
SCHEMBL965982 0.76 EGLN1 (0.39) NPC1TSHRL3MBTL1FEN1EGLN1
SCHEMBL967755 0.74 NPC1 (0.44) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL969732 0.74 RAB9A (0.44) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL18232548 0.72 KMT2A (0.44) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL966726 0.72 MAPK1 (0.42) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL13255478 0.71 HPGD (0.47) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL13118353 0.71 NPC1 (0.49) RAB9ASMN1; SMN2NPC1HPGDTSHR
SCHEMBL970052 0.71 RAB9A (0.47) RAB9ASMN1; SMN2NPC1L3MBTL1ALDH1A1

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 2668/4885SMN1; SMN2 4318/4885NPC1 220/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR RAB9A 2668/4885SMN1; SMN2 4318/4885NPC1 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.