SCHEMBL4074387

SCHEMBL4074387

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.77
MAPK14 Q16539 7/20 0.70
ALOX5 P09917 6/20 0.70
MAPK13 O15264 4/20 0.70
MAPK12 P53778 4/20 0.70
MAPK11 Q15759 4/20 0.70
GCGR P47871 3/20 0.70
RAF1 P04049 1/20 0.62
IDO1 P14902 1/20 0.55
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL4084561 0.89 TGFBR1 (0.72) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL4077150 0.87 TGFBR1 (1.00) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL2649978 0.82 MAPK14 (1.00) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL19868997 0.82 TGFBR1 (0.74) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL19868984 0.81 MAPK14 (0.81) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL4079452 0.79 TGFBR1 (0.71) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL4153691 0.79 TGFBR1 (0.74) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL4552086 0.79 RAF1 (0.88) MAPK14ALOX5MAPK13MAPK12MAPK11
SCHEMBL1429613 0.79 RAF1 (0.53) TGFBR1MAPK14ALOX5MAPK13MAPK12
SCHEMBL29406707 0.77 TGFBR1 (0.64) TGFBR1MAPK14ALOX5MAPK13MAPK12

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 26 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
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-1169317-B1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
JP-2002541253-A 2002-12-03 JP 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
EP-1169317-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2002-01-09 EP claimed
WO-2000061576-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2000-10-19 WO 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
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 56/4885MAPK14 1382/4885ALOX5 355/4885
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE FABP4, MAPK1, MAP3K1 TGFBR1 304/4885MAPK14 40/4885ALOX5 3418/4885
US-20090099237-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885MAPK14 718/4885ALOX5 867/4885
US-20080146617-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885MAPK14 718/4885ALOX5 867/4885

“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.