SCHEMBL966860

SCHEMBL966860

CN(C)C(=O)Nc1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 3/20 0.37
APLNR P35414 1/20 0.36
AURKB Q96GD4 2/20 0.35
INCENP Q9NQS7 1/20 0.35
LMNA P02545 1/20 0.35
AURKA O14965 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL969487 0.91 MEN1 (0.40) NPC1ALDH1A1RAB9AAPLNRHPGD
SCHEMBL969627 0.90 NPC1 (0.39) NPC1ALDH1A1RAB9AAPLNRHPGD
SCHEMBL967421 0.89 NPC1 (0.42) NPC1ALDH1A1RAB9AAPLNRTP53
SCHEMBL966751 0.89 NPC1 (0.39) NPC1ALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL971352 0.88 ATR (0.45) NPC1RAB9ALMNAHPGDTP53
SCHEMBL967654 0.86 GSK3B (0.41) NPC1ALDH1A1RAB9ALMNAPOLB
SCHEMBL14516419 0.86 NPC1 (0.41) NPC1ALDH1A1RAB9AAPLNRLMNA
SCHEMBL971487 0.85 HDAC6 (0.41) NPC1RAB9AAPLNRLMNAHPGD
SCHEMBL967833 0.85 HDAC6 (0.43) NPC1RAB9AAPLNRHPGDSMN1; SMN2
SCHEMBL966977 0.84 NPC1 (0.42) NPC1RAB9AAPLNRLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP claimed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US claimed
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP claimed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO 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-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
EP-1622615-A4 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-02-18 EP 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
EP-1622615-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-08 EP disclosed
WO-2004101512-A2 NAPHTHYRIDINE INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-25 WO 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 220/4885ALDH1A1 2955/4885RAB9A 2668/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR NPC1 220/4885ALDH1A1 2955/4885RAB9A 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.