SCHEMBL4076126

SCHEMBL4076126

NC(=O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc4c(c3)OCO4)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.66
MAPT P10636 3/20 0.66
KDM4E B2RXH2 3/20 0.66
CSNK1A1 P48729 2/20 0.66
CSNK1D P48730 2/20 0.66
CSNK1E P49674 2/20 0.66
ACVR1B P36896 2/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
RIPK2 O43353 1/20 0.66
PRKD3 O94806 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPK1 P28482 1/20 0.66
CYP2C19 P33261 1/20 0.66
TGFBR2 P37173 1/20 0.66
RPS6KA1 Q15418 1/20 0.66
CSNK1A1L Q8N752 1/20 0.66

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
SCHEMBL4074669 0.82 TGFBR1 (0.64) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL29353092 0.81 TGFBR1 (0.85) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL30033986 0.81 TGFBR1 (0.85) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL155156 0.81 TGFBR1 (0.85) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL29504865 0.80 TGFBR1 (0.84) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL21046666 0.80 TGFBR1 (0.84) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL29381798 0.79 TGFBR1 (1.00) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL310028 0.79 TGFBR1 (1.00) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL29359059 0.79 TGFBR1 (1.00) TGFBR1MAPTKDM4ECSNK1A1CSNK1D
Sb-431542 SCHEMBL2681356 0.78 TGFBR1 (0.98) TGFBR1MAPTKDM4ECSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009047163-A1 METHODS OF TREATING INFLAMMATORY DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO claimed
US-20090099237-A1 Methods of treating inflammatory diseases ROCHE PALO ALTO LLC 2009-04-16 US 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
US-20180355319-A1 METHOD FOR PREPARING BROWN ADIPOCYTE KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2018-12-13 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 (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 TGFBR1 56/4885MAPT 3024/4885KDM4E 349/4885
US-11174464-B2 Method for preparing osteoblasts and osteoblast inducer CKMT1A; CKMT1B, PACSIN2, SREBF1 TGFBR1 1614/4885MAPT 2738/4885KDM4E 295/4885
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE FABP4, MAPK1, MAP3K1 TGFBR1 304/4885MAPT 1533/4885KDM4E 1442/4885
US-20090099237-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885MAPT 2005/4885KDM4E 3567/4885
US-20080146617-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885MAPT 2005/4885KDM4E 3567/4885

“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.