SCHEMBL409987

SCHEMBL409987

CCOc1ccc(-c2cc(-c3sc(N)nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.47
MAPK14 Q16539 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
CDC25C P30307 1/20 0.43
DUSP3 P51452 1/20 0.43
DCTPP1 Q9H773 1/20 0.43
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL450076 0.90 TGFBR1 (0.52) TGFBR1MAPK14CYP19A1NPC1MEN1
SCHEMBL412299 0.87 TGFBR1 (0.49) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL415672 0.83 TGFBR1 (0.52) TGFBR1MAPK14CYP19A1PIK3CDPIK3CA
SCHEMBL413765 0.83 TGFBR1 (0.52) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL415611 0.78 TGFBR1 (0.52) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL5956439 0.78 TGFBR1 (0.64) TGFBR1MAPK14CYP19A1NPC1MEN1
SCHEMBL5956505 0.77 TGFBR1 (0.55) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL5956501 0.76 TGFBR1 (0.56) TGFBR1MAPK14MEN1
SCHEMBL6409107 0.76 AR (0.47) TGFBR1CYP1A2NPC1PIK3CASMN1; SMN2
SCHEMBL6998890 0.76 TGFBR1 (0.55) TGFBR1MAPK14NPC1MEN1KMT2A

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
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US claimed
EP-1554275-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP claimed
JP-2004524302-A 2004-08-12 JP claimed
US-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors GLAXO GROUP LIMITED (GB) 2004-04-22 US claimed
WO-2004013134-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO claimed
EP-1355870-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-29 EP claimed
WO-2002062753-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO claimed
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 US disclosed
EP-1554275-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-20 EP disclosed
US-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
WO-2004013134-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 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-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors TGFBR1, TGFB1, TGFBR2 TGFBR1 1/4885MAPK14 3537/4885CYP1A2 2095/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 297/4885CYP1A2 4474/4885

“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.