SCHEMBL450076

SCHEMBL450076

COc1ccc(-c2cc(-c3sc(N)nc3-c3ccccn3)ccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK14 Q16539 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 2/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP19A1 P11511 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SYK P43405 1/20 0.44

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
SCHEMBL409987 0.90 TGFBR1 (0.47) TGFBR1SMN1; SMN2MEN1KMT2AMAPK14
SCHEMBL5956439 0.88 TGFBR1 (0.64) TGFBR1SMN1; SMN2MEN1KMT2AMAPK14
SCHEMBL415672 0.86 TGFBR1 (0.52) TGFBR1MAPK14CYP19A1ALDH1A1L3MBTL1
SCHEMBL413765 0.86 TGFBR1 (0.52) TGFBR1MEN1KMT2AMAPK14NPC1
SCHEMBL412299 0.85 TGFBR1 (0.49) TGFBR1SMN1; SMN2MEN1KMT2AMAPK14
SCHEMBL6998890 0.85 TGFBR1 (0.55) TGFBR1SMN1; SMN2MEN1KMT2AMAPK14
SCHEMBL415611 0.81 TGFBR1 (0.52) TGFBR1MAPK14NPC1MAPTALDH1A1
SCHEMBL5956505 0.79 TGFBR1 (0.55) TGFBR1MEN1KMT2AMAPK14MAPT
SCHEMBL6409107 0.78 AR (0.47) TGFBR1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3888491 0.78 DYRK1A (0.64) TGFBR1SMN1; SMN2MAPK14NPC1RAB9A

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 18 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
EP-1355870-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002062753-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 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 1/4885SMN1; SMN2 1669/4885MEN1 632/4885
US-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 TGFBR1 3/4885SMN1; SMN2 3395/4885MEN1 2280/4885

“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.