SCHEMBL408607

SCHEMBL408607

COc1ccc(-c2n[nH]nc2-c2cccc(C)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.56
MAPK14 Q16539 2/20 0.56
THRB P10828 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
METAP2 P50579 1/20 0.43
HPGD P15428 1/20 0.41
ENPP3 O14638 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL2614971 0.81 MAPK14 (0.60) TGFBR1MAPK14THRBMEN1KMT2A
SCHEMBL17584763 0.80 MEN1 (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL2045714 0.80 HSP90AA1 (0.54) TGFBR1MAPK14THRBMEN1KMT2A
SCHEMBL12645997 0.80 TGFBR1 (0.61) TGFBR1MAPK14THRBMEN1KMT2A
SCHEMBL411466 0.80 TGFBR1 (0.43) TGFBR1MAPK14THRBNPC1RAB9A
SCHEMBL412530 0.79 ALDH1A1 (0.43) TGFBR1MAPK14THRBMEN1KMT2A
SCHEMBL28444043 0.77 ALOX15 (0.65) MAPK14MEN1KMT2ANPC1RAB9A
SCHEMBL6759976 0.77 TGFBR1 (0.51) TGFBR1MAPK14THRBMEN1KMT2A
SCHEMBL28070637 0.74 MEN1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL38663393 0.73 TGFBR1 (0.47) TGFBR1MAPK14THRBMEN1KMT2A

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-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 US claimed
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 US claimed
EP-1959949-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS Alcon, Inc. (CH) 2008-08-27 EP claimed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US claimed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO claimed
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-05 US claimed
EP-1335916-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-20 EP claimed
WO-2002040476-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 WO claimed
US-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON RESEARCH, LTD. (US) 2012-05-10 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-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 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
EP-1959949-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS Alcon, Inc. (CH) 2008-08-27 EP disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US disclosed
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO disclosed
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors SMITHKLINE BEECHAM CORPORATION 2004-08-05 US disclosed
EP-1335916-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-20 EP disclosed
WO-2002040476-A1 PYRIDYL-SUBSTITUTED TRIAZOLES AS TGF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-05-23 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 (4 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-20120115870-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885THRB 314/4885
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885THRB 314/4885
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885THRB 314/4885
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885MAPK14 2320/4885THRB 162/4885

“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.