SCHEMBL2044546

SCHEMBL2044546

Cc1cccc(-c2n[nH]nc2-c2ccc3c(c2)OCCO3)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.53
MAPK14 Q16539 2/20 0.53
RIPK2 O43353 1/20 0.53
ACVR1B P36896 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSP90AA1 P07900 1/20 0.50
CD274 Q9NZQ7 1/20 0.46
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 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
SCHEMBL15984797 0.83 NPC1 (0.57) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5139229 0.81 TGFBR1 (0.47) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6601316 0.79 TGFBR1 (0.50) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6808731 0.76 TGFBR1 (0.44) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6917530 0.76 TGFBR1 (0.47) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15849494 0.75 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL3242826 0.74 TGFBR1 (0.55) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL14576854 0.74 TGFBR1 (0.68) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL6792464 0.73 TGFBR1 (0.53) TGFBR1MAPK14
SCHEMBL4033819 0.72 TGFBR1 (0.59) TGFBR1MAPK14RIPK2ACVR1BTDP1

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 12 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
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US 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-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2011-06-30 US disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US 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 890/4885RIPK2 2560/4885
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885RIPK2 2560/4885
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885RIPK2 2560/4885
US-20040152738-A1 Pyridyl-substituted triazoles as tgf inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885MAPK14 2320/4885RIPK2 4285/4885

“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.