SCHEMBL5497047

SCHEMBL5497047

Cc1cccc(-c2[nH]c(-c3ccc(C#N)cc3)nc2-c2ccc3nonc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.54
MAPK14 Q16539 8/20 0.51
PRKD1 Q15139 1/20 0.49
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MTOR P42345 1/20 0.46
RAF1 P04049 1/20 0.43
IDO1 P14902 1/20 0.42
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
RIPK2 O43353 1/20 0.40
ACVR1B P36896 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5497235 0.87 TGFBR1 (0.70) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL5139077 0.86 TGFBR1 (0.56) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL4489424 0.85 TGFBR1 (0.54) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL5137971 0.82 TGFBR1 (0.56) TGFBR1MAPK14PRKD1MTORRIPK2
SCHEMBL6760976 0.81 TGFBR1 (0.54) TGFBR1MAPK14PRKD1MTORRIPK2
SCHEMBL5503286 0.81 TGFBR1 (0.74) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5138611 0.80 MAPK14 (0.51) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL5497054 0.78 MAPK14 (0.49) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL5500967 0.78 MAPK14 (0.49) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL6760997 0.78 TGFBR1 (0.50) TGFBR1MAPK14PRKD1MTORRIPK2

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
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
US-6906089-B2 Triarylimidazole derivatives as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-06-14 US claimed
EP-1268465-B1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP claimed
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION 2003-08-07 US claimed
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 disclosed
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 disclosed
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 disclosed
US-6906089-B2 Triarylimidazole derivatives as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2005-06-14 US disclosed
EP-1268465-B1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2005-06-01 EP disclosed
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION 2003-08-07 US disclosed
EP-1268465-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-02 EP disclosed
WO-2001072737-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 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 (2 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 1382/4885PRKD1 1163/4885
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors IL2, IL2RA, IL6ST TGFBR1 157/4885MAPK14 306/4885PRKD1 1394/4885

“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.