Sugi Predict

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SCHEMBL967602

SCHEMBL967602

CC(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ CALCA P06881 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ APLNR P35414 2/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL967067 0.91 ALOX12 (0.41) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL965525 0.90 GSK3A (0.39) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL3559789 0.90 TP53 (0.39) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL970508 0.89 L3MBTL1 (0.42) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL969907 0.89 NPSR1 (0.39) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL968024 0.88 APLNR (0.41) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL966556 0.88 GSK3B (0.40) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL965443 0.87 APLNR (0.37) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL966772 0.87 MAPT (0.39) TP53L3MBTL1RAB9AHPGDSMN1; SMN2
SCHEMBL969487 0.87 MEN1 (0.40) TP53L3MBTL1RAB9AHPGDSMN1; SMN2

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 TP53 1946/4885L3MBTL1 2808/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR TP53 1946/4885L3MBTL1 2808/4885RAB9A 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.