SCHEMBL967067

SCHEMBL967067

CCC(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APLNR P35414 2/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CALCA P06881 1/20 0.36
THRB P10828 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 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
SCHEMBL965525 0.94 GSK3A (0.39) ALOX12KDM4EL3MBTL1RAB9ATP53
SCHEMBL968024 0.91 APLNR (0.41) ALOX12KDM4EL3MBTL1RAB9ATP53
SCHEMBL967602 0.91 TP53 (0.39) L3MBTL1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL969907 0.91 NPSR1 (0.39) ALOX12KDM4EL3MBTL1RAB9ATP53
SCHEMBL3559789 0.88 TP53 (0.39) L3MBTL1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL970508 0.88 L3MBTL1 (0.42) KDM4EL3MBTL1RAB9ATP53HPGD
SCHEMBL966556 0.88 GSK3B (0.40) L3MBTL1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL966772 0.87 MAPT (0.39) L3MBTL1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL965443 0.87 APLNR (0.37) ALOX12KDM4EL3MBTL1RAB9ATP53
SCHEMBL967421 0.87 NPC1 (0.42) ALOX12KDM4ERAB9ATP53APLNR

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 16 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-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 ALOX12 4170/4885KDM4E 2029/4885L3MBTL1 2808/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR ALOX12 4170/4885KDM4E 2029/4885L3MBTL1 2808/4885

“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.