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SCHEMBL969901

SCHEMBL969901

CS(=O)(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.37
▸ COMT P21964 3/20 0.34
▸ APLNR P35414 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DCTPP1 Q9H773 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ NPC1 O15118 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
SCHEMBL969656 0.88 CALCA (0.39) CALCACOMTMAPTTP53HPGD
SCHEMBL970505 0.87 CALCA (0.39) CALCAAPLNRMAPTTP53HPGD
SCHEMBL967595 0.85 CALCA (0.37) CALCAAPLNRMAPTTP53HPGD
SCHEMBL967562 0.85 CALCA (0.40) CALCAAPLNRMAPTTP53HPGD
SCHEMBL968379 0.85 CALCA (0.41) CALCACOMTAPLNRMAPTTP53
SCHEMBL967176 0.85 CALCA (0.43) CALCACOMTAPLNRMAPTTP53
SCHEMBL967035 0.84 CALCA (0.43) CALCACOMTAPLNRMAPTTP53
SCHEMBL965916 0.84 CALCA (0.37) CALCAAPLNRMAPTTP53RAB9A
SCHEMBL965382 0.83 CALCA (0.39) CALCAAPLNRMAPTTP53HPGD
SCHEMBL965304 0.83 CALCA (0.41) CALCAAPLNRMAPTTP53HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4461/4885COMT 1043/4885APLNR 2549/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885COMT 1043/4885APLNR 2549/4885

“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.