SCHEMBL2044086

SCHEMBL2044086

Cc1cccc(-c2n[nH]cc2-c2ccnc3ccc(Cl)cc23)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.49
MAPK14 Q16539 6/20 0.49
THRB P10828 2/20 0.46
KDR P35968 3/20 0.39
GAK O14976 1/20 0.39
RIPK2 O43353 1/20 0.39
MAP4K4 O95819 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR2 P37173 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
TGFB2 P61812 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
COQ8A Q8NI60 1/20 0.39
TNIK Q9UKE5 1/20 0.39
RIPK3 Q9Y572 1/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 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
SCHEMBL5496438 0.91 TGFBR1 (0.56) TGFBR1MAPK14THRBGABRG2GABRB3
SCHEMBL6683670 0.86 TGFBR1 (0.48) TGFBR1MAPK14THRBKDRGAK
SCHEMBL376179 0.85 TGFBR1 (0.67) TGFBR1MAPK14THRBACVR1BTGFBR2
SCHEMBL2045360 0.84 TGFBR1 (0.47) TGFBR1MAPK14THRBKDRGAK
Fluoromethane SCHEMBL27755992 0.83 TGFBR1 (0.64) TGFBR1MAPK14THRBACVR1BTGFBR2
SCHEMBL2049534 0.82 TGFBR1 (0.60) TGFBR1MAPK14THRBKDRGAK
SCHEMBL2052409 0.82 TGFBR1 (0.51) TGFBR1MAPK14THRB
SCHEMBL2042895 0.80 TGFBR1 (0.49) TGFBR1MAPK14THRBAAK1
SCHEMBL5488856 0.80 CRHR1 (0.45) TGFBR1MAPK14THRBGABRG2GABRB3
SCHEMBL25084732 0.78 TGFBR1 (0.45) TGFBR1MAPK14

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 17 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-7276525-B2 Osteogenesis-promotion enhancer and method of screening the same NIPPON SHINYAKU CO. LTD. (JP) 2007-10-02 US 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-20060183778-A1 Osteogenesis-promotion enhancer and method of screening the same JAPANESE FOUNDATION OF CANCER RESEARCH (JP) 2006-08-17 US disclosed
EP-1632249-A1 OSTEOGENESIS-PROMOTION ENHANCER AND METHOD OF SCREENING THE SAME Nippon Shinyaku Co., Ltd. (JP) 2006-03-08 EP 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.