SCHEMBL2042895

SCHEMBL2042895

Cc1cccc(-c2n[nH]cc2-c2ccnc3cc(F)ccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.49
MAPK14 Q16539 8/20 0.49
THRB P10828 3/20 0.42
AAK1 Q2M2I8 3/20 0.40
AR P10275 1/20 0.38
NSD3 Q9BZ95 3/20 0.38
GRM4 Q14833 1/20 0.37
NSD2 O96028 1/20 0.37
MYC P01106 1/20 0.37

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
SCHEMBL2052409 0.89 TGFBR1 (0.51) TGFBR1MAPK14THRBNSD3
SCHEMBL5496438 0.87 TGFBR1 (0.56) TGFBR1MAPK14THRBAAK1AR
Fluoromethane SCHEMBL27755992 0.85 TGFBR1 (0.64) TGFBR1MAPK14THRB
SCHEMBL376179 0.85 TGFBR1 (0.67) TGFBR1MAPK14THRB
SCHEMBL2049330 0.84 TGFBR1 (0.59) TGFBR1MAPK14THRBGRM4
SCHEMBL2044086 0.80 TGFBR1 (0.49) TGFBR1MAPK14THRBAAK1
SCHEMBL2045360 0.80 TGFBR1 (0.47) TGFBR1MAPK14THRBAAK1
SCHEMBL6683670 0.79 TGFBR1 (0.48) TGFBR1MAPK14THRB
SCHEMBL2049534 0.78 TGFBR1 (0.60) TGFBR1MAPK14THRBAAK1
SCHEMBL5491962 0.76 TGFBR1 (0.56) 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 15 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
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO claimed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US claimed
WO-2004026302-A1 METHODS OF INHIBITING TGF BETA WITH SUBSTITUTED PYRAZOLES ELI LILLY AND COMPANY (US) 2004-04-01 WO claimed
WO-2020150545-A1 PYRAZOLE DERIVATIVES AS MODULATORS OF THE WNT/B-CATENIN SIGNALING PATHWAY SAMUMED, LLC (US) 2020-07-23 WO disclosed
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
WO-2007070866-A2 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 WO disclosed
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALCON, INC. (CH) 2007-06-21 US 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.