SCHEMBL968042

SCHEMBL968042

Oc1c(-c2nnc(Cc3ccc(F)cc3)[nH]2)nc(N2CCCCS2(O)O)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALCA P06881 7/20 0.50
PARP1 P09874 2/20 0.33
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P4HB P07237 1/20 0.32
COMT P21964 2/20 0.32
APP P05067 1/20 0.31
METAP2 P50579 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL965627 0.93 CALCA (0.51) CALCAKDM4EL3MBTL1LMNAHSP90AA1
SCHEMBL965779 0.92 CALCA (0.48) CALCAKDM4EL3MBTL1LMNAHSP90AA1
SCHEMBL967706 0.92 CALCA (0.41) CALCAPARP1KDM4EL3MBTL1LMNA
SCHEMBL967390 0.92 CALCA (0.42) CALCAKDM4EL3MBTL1LMNAHSP90AA1
SCHEMBL968247 0.91 CALCA (0.52) CALCAKDM4EL3MBTL1LMNAHSP90AA1
SCHEMBL966049 0.91 CALCA (0.43) CALCAPARP1KDM4EL3MBTL1LMNA
SCHEMBL968040 0.91 CALCA (0.62) CALCAPARP1KDM4EL3MBTL1COMT
SCHEMBL966987 0.88 CALCA (0.50) CALCAKDM4EL3MBTL1LMNAHSP90AA1
SCHEMBL967789 0.86 CALCA (0.42) CALCAKDM4EL3MBTL1LMNAHSP90AA1
SCHEMBL965743 0.86 CALCA (0.40) CALCAKDM4EL3MBTL1LMNAHSP90AA1

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 7 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-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
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 4461/4885PARP1 157/4885KDM4E 2029/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885PARP1 157/4885KDM4E 2029/4885

“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.