Sugi Predict

Sugi Predict / Compounds / SCHEMBL969933

SCHEMBL969933

SCHEMBL969933

O=C1NCCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 4/20 0.41
▸ PARP1 P09874 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ APLNR P35414 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ COMT P21964 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ APP P05067 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL965304 0.96 CALCA (0.41) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL967176 0.89 CALCA (0.43) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL968379 0.89 CALCA (0.41) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL967035 0.88 CALCA (0.43) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL965382 0.88 CALCA (0.39) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL966973 0.86 CALCA (0.40) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL967562 0.86 CALCA (0.40) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL967824 0.85 GRIA1 (0.42) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL968103 0.84 CALCA (0.38) CALCAPARP1RAB9ATP53L3MBTL1
SCHEMBL968712 0.83 CALCA (0.38) CALCAPARP1RAB9ATP53L3MBTL1

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 10 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
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

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 157/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885PARP1 157/4885RAB9A 2668/4885

“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.