SCHEMBL968754

SCHEMBL968754

COC(=O)c1cc(NC(C)=O)cc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
APLNR P35414 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL12919926 0.93 MEN1 (0.39) SMN1; SMN2HPGDMEN1KMT2AEGLN1
SCHEMBL971578 0.88 CYP17A1 (0.41) SMN1; SMN2MEN1KMT2AABCG2
SCHEMBL969487 0.87 MEN1 (0.40) APLNRSMN1; SMN2POLBHPGDMEN1
SCHEMBL968711 0.82 MAOB (0.39) NPSR1APLNRSMN1; SMN2POLBHPGD
SCHEMBL967602 0.81 TP53 (0.39) NPSR1APLNRSMN1; SMN2HPGDTHRB
SCHEMBL970545 0.80 MAPT (0.39) APLNRSMN1; SMN2POLBHPGDTHRB
SCHEMBL969627 0.80 NPC1 (0.39) APLNRSMN1; SMN2POLBHPGDKDM4E
SCHEMBL967079 0.80 APLNR (0.49) NPSR1APLNRPOLBTHRBTP53
SCHEMBL968926 0.80 HDAC6 (0.39) APLNRSMN1; SMN2HPGDKDM5AKDM5B
SCHEMBL967833 0.80 HDAC6 (0.43) APLNRSMN1; SMN2POLBHPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 NPSR1 3978/4885APLNR 2549/4885SMN1; SMN2 4318/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR NPSR1 3978/4885APLNR 2549/4885SMN1; 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.