SCHEMBL968666

SCHEMBL968666

NC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.39
CALCA P06881 1/20 0.39
APLNR P35414 2/20 0.38
PARP1 P09874 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
THRB P10828 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
GRM2 Q14416 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL966267 0.91 TP53 (0.42) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL968296 0.89 CALCA (0.41) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL967580 0.87 ADORA2A (0.42) HPGDSMN1; SMN2TP53L3MBTL1POLB
SCHEMBL966340 0.86 NPC1 (0.41) RPS6KB1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL969973 0.85 NPSR1 (0.42) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL3964597 0.85 EGLN1 (0.46) TP53L3MBTL1CALCATHRB
SCHEMBL965385 0.85 CALCA (0.39) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL966194 0.85 CALCA (0.42) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL13118353 0.85 NPC1 (0.49) RAB9AHPGDSMN1; SMN2TP53L3MBTL1
SCHEMBL968739 0.84 CALCA (0.41) 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 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 RPS6KB1 1629/4885RAB9A 2668/4885HPGD 1538/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR RPS6KB1 1629/4885RAB9A 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.