SCHEMBL967413

SCHEMBL967413

Oc1c(-c2nnc(Cc3ccc(F)cc3)[nH]2)nc(N2CCSCC2)c2cccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCA P06881 3/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HIF1A Q16665 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
PIK3CA P42336 1/20 0.35
PARP1 P09874 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
SCHEMBL966358 0.91 CALCA (0.42) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL966862 0.90 HTR6 (0.39) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL966710 0.89 TP53 (0.39) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL966895 0.89 CALCA (0.40) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL967875 0.89 CALCA (0.37) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL966111 0.89 CALCA (0.41) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL966110 0.88 CALCA (0.44) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL966016 0.88 SMO (0.43) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL966030 0.86 GRIA1 (0.41) CALCAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL965873 0.85 KDM4E (0.40) CALCAKDM4ELMNAHTTSMN1; SMN2

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 CALCA 4461/4885KDM4E 2029/4885LMNA 2352/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885KDM4E 2029/4885LMNA 2352/4885

“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.