SCHEMBL1983278

SCHEMBL1983278

COc1cccc(-c2c(C)sc(N)c2C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.51
ADORA2A P29274 5/20 0.51
ADORA2B P29275 3/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
FNTA P49354 1/20 0.49
FNTB P49356 1/20 0.49
RXFP1 Q9HBX9 2/20 0.47
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
GRM6 O15303 1/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
SQOR Q9Y6N5 1/20 0.42

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
SCHEMBL1982213 0.83 FNTA (0.52) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL12960157 0.83 ALDH1A1 (0.55) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL21857518 0.83 ALDH1A1 (0.62) ADORA1ADORA2AHPGDHTTMAPT
SCHEMBL1798608 0.79 ALDH1A1 (0.64) ADORA1ADORA2AHPGDHTTMAPT
SCHEMBL13597801 0.75 GAK (0.48) TP53HPGDHTTKMT2AMEN1
SCHEMBL1982690 0.74 PRKCZ (0.65) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL29152130 0.73 ADORA1 (0.53) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL4428198 0.72 FNTA (0.46) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL621540 0.71 ADORA1 (0.56) ADORA1ADORA2AADORA2BTP53HPGD
SCHEMBL7573051 0.71 ADORA2A (0.55) ADORA1ADORA2AADORA2BTP53HPGD

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
EP-2512242-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-30 EP disclosed
EP-2512242-B1 NOVEL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2015-09-30 EP disclosed
US-9029545-B2 Thienopyridine NOX2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2015-05-12 US disclosed
US-9029545-B2 Thienopyridine NOX2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2015-05-12 US disclosed
EP-2512242-A1 NOVEL COMPOUNDS Glaxo Wellcome Manufacturing Pte Ltd (SG) 2012-10-24 EP disclosed
US-20120252805-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2012-10-04 US disclosed
US-20120252805-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2012-10-04 US disclosed
WO-2011075559-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2011-06-23 WO disclosed
WO-2011075559-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2011-06-23 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 (1 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-20120252805-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 ADORA1 4504/4885ADORA2A 3835/4885ADORA2B 4080/4885

“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.