SCHEMBL968731

SCHEMBL968731

COCCNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALCA P06881 1/20 0.41
TP53 P04637 3/20 0.41
ADORA2A P29274 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.39
APLNR P35414 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL966194 0.91 CALCA (0.42) CALCATP53ADORA2AL3MBTL1THRB
SCHEMBL969545 0.90 CALCA (0.41) CALCATP53ADORA2AL3MBTL1THRB
SCHEMBL968739 0.89 CALCA (0.41) CALCATP53ADORA2AL3MBTL1THRB
SCHEMBL967580 0.89 ADORA2A (0.42) CALCATP53ADORA2AL3MBTL1THRB
SCHEMBL968296 0.89 CALCA (0.41) CALCATP53ADORA2AL3MBTL1THRB
SCHEMBL967711 0.88 APLNR (0.40) CALCATP53ADORA2AL3MBTL1THRB
SCHEMBL969973 0.87 NPSR1 (0.42) CALCATP53ADORA2AL3MBTL1THRB
SCHEMBL3964597 0.87 EGLN1 (0.46) CALCATP53L3MBTL1THRBMAPT
SCHEMBL965385 0.85 CALCA (0.39) CALCATP53L3MBTL1THRBMAPT
SCHEMBL966267 0.84 TP53 (0.42) CALCATP53L3MBTL1THRBMAPT

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 CALCA 4461/4885TP53 1946/4885ADORA2A 3883/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR CALCA 4461/4885TP53 1946/4885ADORA2A 3883/4885

“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.