SCHEMBL967903

SCHEMBL967903

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 10/20 0.43
CYP3A4 P08684 10/20 0.43
CYP2D6 P10635 8/20 0.43
LMNA P02545 5/20 0.43
USP2 O75604 4/20 0.43
CLK4 Q9HAZ1 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KIT P10721 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
TSHR P16473 5/20 0.40
CYP2C19 P33261 5/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL971487 0.91 HDAC6 (0.41) CYP1A2CYP3A4CYP2D6LMNAUSP2
SCHEMBL971578 0.88 CYP17A1 (0.41) MEN1KMT2AKITTSHRMAPT
SCHEMBL969924 0.88 PTGDR2 (0.39) PTGDR2HPGDTP53SMN1; SMN2ATR
SCHEMBL970545 0.86 MAPT (0.39) LMNAHDAC6MAPTHPGDTP53
SCHEMBL969654 0.86 COMT (0.37) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL966890 0.85 TP53 (0.39) HDAC6MAPTHPGDTP53SMN1; SMN2
SCHEMBL967819 0.85 APLNR (0.38) CYP2D6MEN1KMT2AMAPTKDM4E
SCHEMBL968711 0.84 MAOB (0.39) MEN1KMT2AHDAC6HPGDTP53
SCHEMBL967882 0.83 PTGS2 (0.44)
SCHEMBL969393 0.83 NPC1 (0.40) CYP3A4LMNAUSP2TSHRHPGD

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 CYP1A2 1507/4885CYP3A4 794/4885CYP2D6 2004/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CYP1A2 1507/4885CYP3A4 794/4885CYP2D6 2004/4885

“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.