SCHEMBL967599

SCHEMBL967599

Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-n2cccc2)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 3/20 0.40
CALCA P06881 2/20 0.39
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.36
USP2 O75604 2/20 0.36
TSHR P16473 1/20 0.36
PARP1 P09874 1/20 0.35
APLNR P35414 2/20 0.35
CDC7 O00311 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL968262 0.86 RAB9A (0.38) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL13118353 0.85 NPC1 (0.49) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL966913 0.84 HPGD (0.42) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL966649 0.84 CALCA (0.43) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL15197866 0.84 RAB9A (0.44) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL965304 0.83 CALCA (0.41) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL966990 0.82 CALCA (0.46) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL967176 0.82 CALCA (0.43) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL967409 0.82 CALCA (0.49) L3MBTL1RAB9AHPGDSMN1; SMN2TP53
SCHEMBL967562 0.82 CALCA (0.40) L3MBTL1RAB9AHPGDSMN1; SMN2TP53

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 L3MBTL1 2808/4885RAB9A 2668/4885HPGD 1538/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR L3MBTL1 2808/4885RAB9A 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.