SCHEMBL4084561

SCHEMBL4084561

CCOC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.72
ALOX5 P09917 5/20 0.71
MAPK14 Q16539 8/20 0.55
MAPK13 O15264 5/20 0.55
MAPK12 P53778 5/20 0.55
MAPK11 Q15759 5/20 0.55
GCGR P47871 5/20 0.55
ACVR1B P36896 2/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
CSNK1D P48730 3/20 0.48
CSNK1A1 P48729 2/20 0.48
CSNK1E P49674 2/20 0.48
CSNK1G2 P78368 1/20 0.48
PRKD1 Q15139 1/20 0.48
CSNK1G1 Q9HCP0 1/20 0.48
RIPK2 O43353 1/20 0.48
PRKD3 O94806 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4074387 0.89 TGFBR1 (0.77) TGFBR1ALOX5MAPK14MAPK13MAPK12
SCHEMBL4077150 0.84 TGFBR1 (1.00) TGFBR1ALOX5MAPK14MAPK13MAPK12
SCHEMBL4569577 0.83 ALOX5 (1.00) TGFBR1ALOX5MAPK14MAPK13MAPK12
SCHEMBL19868997 0.79 TGFBR1 (0.74) TGFBR1ALOX5MAPK14MAPK13MAPK12
SCHEMBL4153691 0.79 TGFBR1 (0.74) TGFBR1ALOX5MAPK14MAPK13MAPK12
SCHEMBL4158851 0.77 TGFBR1 (0.68) TGFBR1ALOX5MAPK14MAPK13MAPK12
SCHEMBL4079452 0.77 TGFBR1 (0.71) TGFBR1ALOX5MAPK14MAPK13MAPK12
SCHEMBL31211646 0.76 NPC1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6602550 0.76 NPC1 (0.56) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29406707 0.75 TGFBR1 (0.64) TGFBR1ALOX5MAPK14MAPK13MAPK12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099237-A1 Methods of treating inflammatory diseases ROCHE PALO ALTO LLC 2009-04-16 US claimed
WO-2009047163-A1 METHODS OF TREATING INFLAMMATORY DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO claimed
US-20080146617-A1 Methods of treating inflammatory diseases ROCHE PALO ALTO LLC 2008-06-19 US claimed
WO-2008071605-A2 METHODS OF TREATING INFLAMMATORY DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 WO 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
EP-1169317-B1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
US-6465493-B1 SUCH AS 4-(4-(4-FLUOROPHENYL)-5-(2-PYRIDYL)-1-HYDROXY-1H-IMIDAZOL-2-YL)BENZONITRILE; ALK5 MEDIATED DISEASES SUCH AS ARTHRITIS, OSTEOPOROSIS, KIDNEY AND RENAL DISEASES, CONGES-TIVE HEART FAILURE, ULCERS, DIABETIC NEPHROPATHY SMITHKLINE BEECHAM CORPORATION 2002-10-15 US claimed
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2024-03-14 US disclosed
CN-106459903-B Preparation method of osteoblast and osteoblast inducer 京都府公立大学法人 2021-04-23 CN disclosed
US-20180355319-A1 METHOD FOR PREPARING BROWN ADIPOCYTE KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2018-12-13 US disclosed
US-20090099237-A1 Methods of treating inflammatory diseases ROCHE PALO ALTO LLC 2009-04-16 US disclosed
WO-2009047163-A1 METHODS OF TREATING INFLAMMATORY DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO disclosed
WO-2008071605-A2 METHODS OF TREATING INFLAMMATORY DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 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
EP-1169317-B1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
US-6465493-B1 SUCH AS 4-(4-(4-FLUOROPHENYL)-5-(2-PYRIDYL)-1-HYDROXY-1H-IMIDAZOL-2-YL)BENZONITRILE; ALK5 MEDIATED DISEASES SUCH AS ARTHRITIS, OSTEOPOROSIS, KIDNEY AND RENAL DISEASES, CONGES-TIVE HEART FAILURE, ULCERS, DIABETIC NEPHROPATHY SMITHKLINE BEECHAM CORPORATION 2002-10-15 US disclosed
EP-1169317-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2002-01-09 EP disclosed
WO-2000061576-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2000-10-19 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 (4 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 56/4885ALOX5 355/4885MAPK14 1382/4885
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE FABP4, MAPK1, MAP3K1 TGFBR1 304/4885ALOX5 3418/4885MAPK14 40/4885
US-20090099237-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885ALOX5 867/4885MAPK14 718/4885
US-20080146617-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885ALOX5 867/4885MAPK14 718/4885

“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.