SCHEMBL5500967

SCHEMBL5500967

COc1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2cccc(C)n2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
TGFBR1 P36897 10/20 0.47
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
ALOX5 P09917 2/20 0.43
GCGR P47871 1/20 0.43
KIT P10721 2/20 0.42
PRKD1 Q15139 1/20 0.42
RAF1 P04049 1/20 0.42
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL5497054 0.92 MAPK14 (0.49) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL5107624 0.87 TGFBR1 (0.55) MAPK14TGFBR1PRKD1
SCHEMBL6183282 0.84 IDO1 (0.45) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL5138611 0.84 MAPK14 (0.51) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL5162700 0.83 MAPK14 (0.51) MAPK14TGFBR1KITPRKD1
SCHEMBL5497235 0.79 TGFBR1 (0.70) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL27705251 0.78 MAPK14 (0.40) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL5497047 0.78 TGFBR1 (0.54) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL5139077 0.78 TGFBR1 (0.56) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL6183901 0.78 KDM1A (0.40) KITMEN1KMT2A

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
CN-101031294-A Use of ALK5 inhibitors to modulate or inhibit myostatin activity that results in increased growth of lean tissue in an animal SCHERING PLOUGH LTD (CH) 2007-09-05 CN 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 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-1268465-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-02 EP claimed
WO-2001072737-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO claimed
CN-101031294-A Use of ALK5 inhibitors to modulate or inhibit myostatin activity that results in increased growth of lean tissue in an animal SCHERING PLOUGH LTD (CH) 2007-09-05 CN 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
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 MAPK14 1382/4885TGFBR1 56/4885MAPK13 1750/4885
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors IL2, IL2RA, IL6ST MAPK14 306/4885TGFBR1 157/4885MAPK13 390/4885

“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.