SCHEMBL2045872

SCHEMBL2045872

c1ccc(NCCn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.68
MAPK14 Q16539 9/20 0.68
METAP1 P53582 1/20 0.45
THRB P10828 1/20 0.43
TGFBR2 P37173 1/20 0.41
ABL2 P42684 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
GRM4 Q14833 1/20 0.39
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL5278449 0.95 TGFBR1 (0.67) TGFBR1MAPK14METAP1THRBTGFBR2
SCHEMBL5091553 0.83 TGFBR1 (0.71) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2050975 0.83 TGFBR1 (0.71) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5090776 0.82 TGFBR1 (0.61) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5188286 0.82 TGFBR1 (0.70) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2045365 0.82 TGFBR1 (0.76) TGFBR1MAPK14METAP1THRBTGFBR2
SCHEMBL5186629 0.82 TGFBR1 (0.69) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL373455 0.81 TGFBR1 (1.00) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5930985 0.81 TGFBR1 (0.67) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5187792 0.80 TGFBR1 (0.60) TGFBR1MAPK14THRBTGFBR2ABL2

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
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
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
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 890/4885METAP1 1173/4885
US-20110160210-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885METAP1 1173/4885
US-20070142376-A1 CONTROL OF INTRAOCULAR PRESSURE USING ALK5 MODULATION AGENTS ALK, ACVR1, ACVR2A TGFBR1 14/4885MAPK14 890/4885METAP1 1173/4885

“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.