SCHEMBL373558

SCHEMBL373558

O=C(O)c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 12/20 1.00
ACVR1B P36896 2/20 1.00
KDM4E B2RXH2 6/20 0.84
ALDH1A1 P00352 5/20 0.84
HPGD P15428 5/20 0.84
MAPT P10636 4/20 0.84
CSNK1D P48730 3/20 0.84
CSNK1E P49674 3/20 0.84
CSNK1A1 P48729 2/20 0.84
TDP1 Q9NUW8 2/20 0.84
CYP3A4 P08684 2/20 0.84
CYP2D6 P10635 2/20 0.84
CYP2C19 P33261 2/20 0.84
RIPK2 O43353 1/20 0.84
PRKD3 O94806 1/20 0.84
CYP1A2 P05177 1/20 0.84
MAPK1 P28482 1/20 0.84
TGFBR2 P37173 1/20 0.84
RPS6KA1 Q15418 1/20 0.84
CSNK1A1L Q8N752 1/20 0.84

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
Hydrochloric Acid SCHEMBL7550900 0.94 TGFBR1 (0.89) TGFBR1ACVR1BKDM4EALDH1A1HPGD
SCHEMBL4153862 0.92 TGFBR1 (0.85) TGFBR1ACVR1BKDM4EALDH1A1HPGD
Sb-431542 SCHEMBL310028 0.91 TGFBR1 (1.00) TGFBR1ACVR1BKDM4EALDH1A1HPGD
Sb-431542 SCHEMBL29381798 0.91 TGFBR1 (1.00) TGFBR1ACVR1BKDM4EALDH1A1HPGD
SCHEMBL6475046 0.91 TGFBR1 (0.84) TGFBR1ACVR1BKDM4EALDH1A1HPGD
Sb-431542 SCHEMBL29359059 0.91 TGFBR1 (1.00) TGFBR1ACVR1BKDM4EALDH1A1HPGD
SCHEMBL2617116 0.91 TGFBR1 (0.84) TGFBR1ACVR1BKDM4EALDH1A1HPGD
SCHEMBL28825919 0.91 TGFBR1 (0.82) TGFBR1ACVR1BKDM4EALDH1A1HPGD
Sb-431542 SCHEMBL2681356 0.90 TGFBR1 (0.98) TGFBR1ACVR1BKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6183123 0.90 TGFBR1 (0.82) TGFBR1ACVR1BKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871744-B2 Compounds and methods for selectively targeting tumor-associated mucins B & G Partyers, LLC (US) 2014-10-28 US claimed
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-11987558-B1 ALK5 inhibitors and their uses SYNTHIS THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2024-03-14 US disclosed
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2023-05-04 US 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-2001072737-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO 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 (6 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 6/4885KDM4E 349/4885
US-11987558-B1 ALK5 inhibitors and their uses ALK, ALKBH3, ALKBH5 TGFBR1 106/4885ACVR1B 9/4885KDM4E 164/4885
US-20240084258-A1 METHOD FOR PREPARING BROWN ADIPOCYTE FABP4, MAPK1, MAP3K1 TGFBR1 304/4885ACVR1B 772/4885KDM4E 1442/4885
US-20090099237-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885ACVR1B 4277/4885KDM4E 3567/4885
US-20080146617-A1 Methods of treating inflammatory diseases CSNK1A1, PACSIN2, CSNK1G1 TGFBR1 3096/4885ACVR1B 4277/4885KDM4E 3567/4885
US-20230132568-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885ACVR1B 33/4885KDM4E 268/4885

“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.