Sugi Predict

Sugi Predict / Compounds / SCHEMBL965304

SCHEMBL965304

SCHEMBL965304

O=C1NCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 3/20 0.41
▸ PARP1 P09874 1/20 0.38
▸ RAB9A P51151 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ APLNR P35414 2/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ APP P05067 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL969933 0.96 CALCA (0.41) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL965382 0.90 CALCA (0.39) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL967824 0.89 GRIA1 (0.42) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL968379 0.88 CALCA (0.41) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL966973 0.88 CALCA (0.40) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL967562 0.88 CALCA (0.40) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL967176 0.88 CALCA (0.43) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL967035 0.87 CALCA (0.43) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL968103 0.86 CALCA (0.38) CALCAPARP1RAB9AL3MBTL1TP53
SCHEMBL968712 0.85 CALCA (0.38) CALCAPARP1RAB9AL3MBTL1TP53

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.