Sugi Predict

Sugi Predict / Compounds / SCHEMBL969393

SCHEMBL969393

SCHEMBL969393

Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ HPGD P15428 4/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ POLB P06746 2/20 0.36
▸ APLNR P35414 3/20 0.36
▸ TSHR P16473 3/20 0.36
▸ USP2 O75604 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.35
▸ THRB P10828 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ FLT3 P36888 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
SCHEMBL969732 0.89 RAB9A (0.44) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL969587 0.87 NPC1 (0.38) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL968926 0.87 HDAC6 (0.39) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL968711 0.86 MAOB (0.39) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL966296 0.86 NPC1 (0.42) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL968387 0.86 SMN1; SMN2 (0.44) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL970545 0.86 MAPT (0.39) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL969924 0.85 PTGDR2 (0.39) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL967385 0.84 NPC1 (0.42) NPC1HPGDSMN1; SMN2RAB9ATP53
SCHEMBL967551 0.84 NPC1 (0.57) NPC1HPGDSMN1; SMN2RAB9ATP53

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 NPC1 220/4885HPGD 1538/4885SMN1; SMN2 4318/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR NPC1 220/4885HPGD 1538/4885SMN1; SMN2 4318/4885

“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.