SCHEMBL410002

SCHEMBL410002

Nc1nc(-c2ccccn2)c(-c2ccnc3ccccc23)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 1.00
MAPK14 Q16539 5/20 0.46
TGFBR2 P37173 1/20 0.46
ABL2 P42684 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
MAP3K20 Q9NYL2 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL373797 0.87 TGFBR1 (1.00) TGFBR1
SCHEMBL10040947 0.86 TGFBR1 (0.75) TGFBR1
SCHEMBL4032177 0.85 TGFBR1 (0.75) TGFBR1MAPK14THRB
SCHEMBL373438 0.79 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL31060282 0.79 TGFBR1 (1.00) TGFBR1
SCHEMBL4030536 0.78 TGFBR1 (0.66) TGFBR1MAPK14THRB
Gw693481X SCHEMBL373662 0.77 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL31061458 0.76 TGFBR1 (1.00) TGFBR1
SCHEMBL31060753 0.75 TGFBR1 (0.60) TGFBR1MAPK14TGFBR2ABL2CSNK1A1
SCHEMBL6627903 0.75 TGFBR1 (0.67) TGFBR1MAPK14TGFBR2ABL2CSNK1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063745-A1 2-amino-4-(pyridin-2-yl)-thiazole derivatives as transforming growth factor beta (tgf-beta) inhibitors GLAXO GROUP LIMITED (GB) 2004-04-01 US claimed
EP-1355892-A1 2-AMINO-4-(PYRIDIN-2-YL)-THIAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR BETA (TGF-BETA) INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-29 EP claimed
WO-2002062776-A1 2-AMINO-4-(PYRIDIN-2-YL)-THIAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR BETA (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-20040063745-A1 2-amino-4-(pyridin-2-yl)-thiazole derivatives as transforming growth factor beta (tgf-beta) inhibitors GLAXO GROUP LIMITED (GB) 2004-04-01 US disclosed
EP-1355892-A1 2-AMINO-4-(PYRIDIN-2-YL)-THIAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR BETA (TGF-BETA) INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002062776-A1 2-AMINO-4-(PYRIDIN-2-YL)-THIAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR BETA (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 (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-20040063745-A1 2-amino-4-(pyridin-2-yl)-thiazole derivatives as transforming growth factor beta (tgf-beta) inhibitors TGFBR2, TGFBR1, TGFB1 TGFBR1 2/4885MAPK14 3047/4885TGFBR2 1/4885

“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.