SCHEMBL2052409

SCHEMBL2052409

Cc1ccc2c(-c3c[nH]nc3-c3cccc(C)n3)ccnc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.51
MAPK14 Q16539 10/20 0.51
THRB P10828 3/20 0.43
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NSD3 Q9BZ95 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5496438 0.89 TGFBR1 (0.56) TGFBR1MAPK14THRB
SCHEMBL2042895 0.89 TGFBR1 (0.49) TGFBR1MAPK14THRBNSD3
SCHEMBL376179 0.87 TGFBR1 (0.67) TGFBR1MAPK14THRBALDH1A1
SCHEMBL2049330 0.86 TGFBR1 (0.59) TGFBR1MAPK14THRB
Fluoromethane SCHEMBL27755992 0.85 TGFBR1 (0.64) TGFBR1MAPK14THRBALDH1A1
SCHEMBL2044086 0.82 TGFBR1 (0.49) TGFBR1MAPK14THRB
SCHEMBL6683670 0.81 TGFBR1 (0.48) TGFBR1MAPK14THRB
SCHEMBL2045360 0.79 TGFBR1 (0.47) TGFBR1MAPK14THRB
SCHEMBL5487055 0.78 IDO1 (0.40) TGFBR1MAPK14HTR1AADRA1DADRA1A
SCHEMBL2049534 0.78 TGFBR1 (0.60) TGFBR1MAPK14THRB

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 14 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
CN-101330914-A Control of intraocular pressure using ALK5 modulation agents ALCON INC (CH) 2008-12-24 CN 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
WO-2004026302-A1 METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES ELI LILLY AND COMPANY (US) 2004-04-01 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
CN-101330914-A Control of intraocular pressure using ALK5 modulation agents ALCON INC (CH) 2008-12-24 CN 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
WO-2004026302-A1 METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES ELI LILLY AND COMPANY (US) 2004-04-01 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 (3 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

“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.