SCHEMBL5503286

SCHEMBL5503286

Cc1cccc(-c2[nH]c(-c3ccc(C#N)cc3)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.74
MAPK14 Q16539 4/20 0.74
MAPK13 O15264 1/20 0.74
MAPK12 P53778 1/20 0.74
MAPK11 Q15759 1/20 0.74
ACVR1B P36896 3/20 0.64
RIPK2 O43353 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
KDM4E B2RXH2 1/20 0.51
PRKD3 O94806 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
TGFBR2 P37173 1/20 0.51
CSNK1A1 P48729 1/20 0.51

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
SCHEMBL13998760 0.87 TGFBR1 (0.78) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL373508 0.85 TGFBR1 (0.65) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13998766 0.85 TGFBR1 (0.75) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL373802 0.85 TGFBR1 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL373509 0.84 TGFBR1 (1.00) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL373281 0.84 TGFBR1 (1.00) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL13998754 0.84 TGFBR1 (0.73) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5137950 0.83 TGFBR1 (0.69) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5497694 0.82 TGFBR1 (0.75) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL13998749 0.82 TGFBR1 (0.75) TGFBR1MAPK14MAPK13MAPK12MAPK11

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771171-A1 USE OF ALK 5 INHIBITORS TO MODULATE OR INHIBIT MYOSTATIN ACTIVITY LEADING TO INCREASED LEAN TISSUE ACCRETION IN ANIMALS Schering-Plough Ltd. (CH) 2007-04-11 EP claimed
US-20060194845-A1 Use of ALK 5 inhibitors to modulate or inhibit myostatin activity leading to increased lean tissue accretion in animals SCHERING CORPORATION 2006-08-31 US claimed
WO-2006025988-A1 USE OF ALK 5 INHIBITORS TO MODULATE OR INHIBIT MYOSTATIN ACTIVITY LEADING TO INCREASED LEAN TISSUE ACCRETION IN ANIMALS SCHERING-PLOUGH LTD. (CH) 2006-03-09 WO claimed
EP-1268465-B1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060194845-A1 Use of ALK 5 inhibitors to modulate or inhibit myostatin activity leading to increased lean tissue accretion in animals ALK, ACVR1, MSTN TGFBR1 56/4885MAPK14 1382/4885MAPK13 1750/4885

“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.