SCHEMBL971473

SCHEMBL971473

CN1CCN(c2nc(-c3ncc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.39
CALCA P06881 3/20 0.38
CNR2 P34972 2/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCD O00767 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
PIM1 P11309 1/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL967562 0.87 CALCA (0.40) PARP1CALCAL3MBTL1LMNAMAPT
SCHEMBL967613 0.79 PARP1 (0.42) PARP1KDM4EL3MBTL1LMNAHSP90AA1
SCHEMBL968712 0.78 CALCA (0.38) PARP1CALCAL3MBTL1SCDLMNA
SCHEMBL968103 0.75 CALCA (0.38) PARP1CALCAL3MBTL1MAPTRAB9A
SCHEMBL965304 0.75 CALCA (0.41) PARP1CALCACNR2APPKDM4E
SCHEMBL968379 0.74 CALCA (0.41) PARP1CALCAL3MBTL1LMNAMAPT
SCHEMBL967176 0.74 CALCA (0.43) PARP1CALCAL3MBTL1LMNAMAPT
SCHEMBL966973 0.74 CALCA (0.40) PARP1CALCACNR2APPKDM4E
SCHEMBL970505 0.74 CALCA (0.39) PARP1CALCACNR2APPL3MBTL1
SCHEMBL967035 0.73 CALCA (0.43) PARP1CALCAKDM4EL3MBTL1LMNA

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 8 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-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 PARP1 157/4885CALCA 4461/4885CNR2 4805/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR PARP1 157/4885CALCA 4461/4885CNR2 4805/4885

“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.