SCHEMBL415672

SCHEMBL415672

Nc1nc(-c2ccccn2)c(-c2ccnc(-c3ccc(Cl)cc3)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.52
MAPK14 Q16539 1/20 0.46
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAP4K4 O95819 1/20 0.42
CYP19A1 P11511 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
SCHEMBL413765 0.88 TGFBR1 (0.52) TGFBR1MAPK14PIK3CDPIK3CAPI4KA
SCHEMBL450076 0.86 TGFBR1 (0.52) TGFBR1MAPK14PIK3CDPIK3CAPI4KA
SCHEMBL412299 0.85 TGFBR1 (0.49) TGFBR1MAPK14PIK3CDPIK3CAPI4KA
SCHEMBL415611 0.83 TGFBR1 (0.52) TGFBR1MAPK14PIK3CDPIK3CAPI4KA
SCHEMBL409987 0.83 TGFBR1 (0.47) TGFBR1MAPK14PIK3CDPIK3CAPI4KA
SCHEMBL5956505 0.81 TGFBR1 (0.55) TGFBR1MAPK14PIK3CDPIK3CAPI4KA
SCHEMBL6409107 0.80 AR (0.47) TGFBR1PIK3CAKDM4EALOX15L3MBTL1
SCHEMBL5956633 0.79 TGFBR1 (0.54) TGFBR1MAPK14KDM4EALDH1A1CYP3A4
SCHEMBL18236266 0.79 TGFBR1 (0.60) TGFBR1MAPK14PIK3CDPIK3CAPI4KA
SCHEMBL18230394 0.77 TGFBR1 (0.58) TGFBR1MAPK14PIK3CDPIK3CAPI4KA

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 16 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
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO 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 3537/4885PIK3CD 3894/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885MAPK14 297/4885PIK3CD 482/4885

“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.