SCHEMBL5138092

SCHEMBL5138092

O=C(O)COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 0.75
ACVR1B P36896 2/20 0.75
MAPT P10636 4/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
CSNK1A1 P48729 2/20 0.71
CSNK1D P48730 2/20 0.71
CSNK1E P49674 2/20 0.71
KDM4E B2RXH2 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
RIPK2 O43353 1/20 0.71
PRKD3 O94806 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
MAPK1 P28482 1/20 0.71
CYP2C19 P33261 1/20 0.71
TGFBR2 P37173 1/20 0.71
RPS6KA1 Q15418 1/20 0.71
CSNK1A1L Q8N752 1/20 0.71

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
SCHEMBL28825919 0.86 TGFBR1 (0.82) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL373558 0.86 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL6181382 0.84 TGFBR1 (0.78) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL5139175 0.83 TGFBR1 (0.79) TGFBR1ACVR1BMAPTALDH1A1HPGD
Sb-431542 SCHEMBL29359059 0.83 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL2617116 0.83 TGFBR1 (0.84) TGFBR1ACVR1BMAPTALDH1A1HPGD
Sb-431542 SCHEMBL29381798 0.83 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL6475046 0.83 TGFBR1 (0.84) TGFBR1ACVR1BMAPTALDH1A1HPGD
Sb-431542 SCHEMBL310028 0.83 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD
SCHEMBL373248 0.83 TGFBR1 (1.00) TGFBR1ACVR1BMAPTALDH1A1HPGD

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
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-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
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
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 56/4885ACVR1B 6/4885MAPT 3024/4885
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors IL2, IL2RA, IL6ST TGFBR1 157/4885ACVR1B 273/4885MAPT 4189/4885

“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.