Sugi Predict

Sugi Predict / Compounds / SCHEMBL967446

SCHEMBL967446

SCHEMBL967446

O=C1CN(C(=O)c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CCN1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 3/20 0.38
▸ CALCA P06881 1/20 0.38
▸ PARP1 P09874 5/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37
▸ NTRK1 P04629 1/20 0.34
▸ APP P05067 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ GRIA1 P42261 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
SCHEMBL967529 0.86 MAPT (0.44) CALCANTRK1APPTP53HPGD
SCHEMBL967824 0.85 GRIA1 (0.42) APLNRCALCAPARP1TP53HPGD
SCHEMBL966889 0.85 CALCA (0.41) APLNRCALCAAPPTP53HPGD
SCHEMBL970529 0.85 CALCA (0.39) APLNRCALCAAPPTP53HPGD
SCHEMBL966267 0.81 TP53 (0.42) APLNRCALCAPARP1TP53HPGD
SCHEMBL965304 0.81 CALCA (0.41) APLNRCALCAPARP1APPTP53
SCHEMBL968666 0.81 RPS6KB1 (0.41) APLNRCALCAPARP1TP53HPGD
SCHEMBL968296 0.79 CALCA (0.41) APLNRCALCATP53HPGDRAB9A
SCHEMBL968230 0.78 GRIA1 (0.38) CALCAHPGDRAB9ASMN1; SMN2GRIA1
SCHEMBL969591 0.78 CALCA (0.42) APLNRCALCAPARP1TP53HPGD

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 APLNR 2549/4885CALCA 4461/4885PARP1 157/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR APLNR 2549/4885CALCA 4461/4885PARP1 157/4885

“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.