SCHEMBL4086169

SCHEMBL4086169

COc1ccc(-c2nc(-c3ccc(C#N)cc3)[nH]c2-c2ccccn2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.62
MAPK13 O15264 6/20 0.62
MAPK12 P53778 6/20 0.62
MAPK11 Q15759 6/20 0.62
TGFBR1 P36897 2/20 0.62
RAF1 P04049 3/20 0.55
MAPT P10636 3/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
MAPK9 P45984 1/20 0.50
NOX1 Q9Y5S8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4082163 0.85 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL13217780 0.78 TGFBR1 (0.59) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL5138611 0.77 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL373802 0.77 TGFBR1 (1.00) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4154047 0.77 TGFBR1 (0.89) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL38661056 0.75 NPC1 (0.47) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL6972700 0.75 TGFBR1 (0.72) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL38661552 0.74 NPC1 (0.46) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4085338 0.74 TGFBR1 (0.74) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4551614 0.74 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11RAF1

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 31 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
EP-3133149-B1 METHOD FOR PREPARING OSTEOBLASTS AND OSTEOBLAST INDUCER KYOTO PREFECTURAL PUBLIC UNIV CORP (JP) 2022-06-22 EP disclosed
US-11174464-B2 Method for preparing osteoblasts and osteoblast inducer KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2021-11-16 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
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 (5 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 1382/4885MAPK13 1750/4885MAPK12 1902/4885
US-11174464-B2 Method for preparing osteoblasts and osteoblast inducer CKMT1A; CKMT1B, PACSIN2, SREBF1 MAPK14 644/4885MAPK13 956/4885MAPK12 1120/4885
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE FABP4, MAPK1, MAP3K1 MAPK14 40/4885MAPK13 50/4885MAPK12 44/4885
US-20090099237-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 MAPK14 718/4885MAPK13 793/4885MAPK12 1222/4885
US-20080146617-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 MAPK14 718/4885MAPK13 793/4885MAPK12 1222/4885

“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.