SCHEMBL412449

SCHEMBL412449

COc1ccc(-c2cc(-c3[nH]nnc3-c3cccc(C)n3)ccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.49
MAPK14 Q16539 5/20 0.47
ROS1 P08922 1/20 0.45
DYRK1A Q13627 1/20 0.41
THRB P10828 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 2/20 0.39
MAT2A P31153 1/20 0.39
MAPKAPK2 P49137 2/20 0.39
RIPK2 O43353 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL5919686 0.88 MAT2A (0.46) TGFBR1MAPK14ROS1NPC1RAB9A
SCHEMBL409228 0.87 TGFBR1 (0.46) TGFBR1MAPK14KDRRIPK2
SCHEMBL411727 0.87 TGFBR1 (0.46) TGFBR1MAPK14THRBKDRRIPK2
SCHEMBL411664 0.85 TGFBR1 (0.55) TGFBR1
SCHEMBL413289 0.85 TGFBR1 (0.39) TGFBR1MAPK14KDRRIPK2
SCHEMBL5919625 0.83 TGFBR1 (0.57) TGFBR1MAPK14THRBKDRRIPK2
SCHEMBL5919631 0.82 TGFBR1 (0.56) TGFBR1
SCHEMBL5907484 0.79 TGFBR1 (0.50) TGFBR1MAPK14ROS1DYRK1ATHRB
SCHEMBL5919650 0.77 TGFBR1 (0.55) TGFBR1MAPK14DYRK1AKDRMAPKAPK2
SCHEMBL701820 0.76 TGFBR1 (0.50) TGFBR1MAPK14THRBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway GELLIBERT FRANCOISE J 2006-04-06 US claimed
EP-1530567-A1 PYRIDINYL SUBSTITUTED (1,2,3,)TRIAZOLES AS INHIBITORS OF THE TGF-BETA SIGNALLING PATHWAY SMITHKLINE BEECHAM CORPORATION (US) 2005-05-18 EP claimed
WO-2004013125-A1 PYRIDINYL SUBSTITUTED (1,2,3,)TRIAZOLES AS INHIBITORS OF THE TGF-BETA SIGNALLING PATHWAY SMITHKLINE BEECHAM CORPORATION (US) 2004-02-12 WO claimed
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-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway GELLIBERT FRANCOISE J 2006-04-06 US disclosed
EP-1530567-A1 PYRIDINYL SUBSTITUTED (1,2,3,)TRIAZOLES AS INHIBITORS OF THE TGF-BETA SIGNALLING PATHWAY SMITHKLINE BEECHAM CORPORATION (US) 2005-05-18 EP disclosed
WO-2004013125-A1 PYRIDINYL SUBSTITUTED (1,2,3,)TRIAZOLES AS INHIBITORS OF THE TGF-BETA SIGNALLING PATHWAY 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 (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-20060074244-A1 Pyridinyl substituted (1,2,3,)triazoles as inhibitors of the tgf-beta signalling pathway SMAD3, TGFBR1, SMAD2 TGFBR1 2/4885MAPK14 164/4885ROS1 373/4885

“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.