SCHEMBL4032677

SCHEMBL4032677

Cc1cccc(-c2sc(N)nc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.54
MAPK14 Q16539 3/20 0.54
RIPK2 O43353 1/20 0.54
ACVR1B P36896 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
ADORA1 P30542 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL4035351 0.91 TGFBR1 (0.61) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4033819 0.88 TGFBR1 (0.59) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4032898 0.80 TGFBR1 (0.55) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15849494 0.79 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4037908 0.79 TGFBR1 (0.56) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL4033864 0.76 TGFBR1 (0.82) TGFBR1MAPK14RIPK2ACVR1BMEN1
SCHEMBL4039041 0.75 TGFBR1 (0.53) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5695773 0.75 CD274 (0.58) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5695754 0.75 TGFBR1 (0.59) TGFBR1MAPK14SMN1; SMN2MEN1ALDH1A1
SCHEMBL4030943 0.75 TGFBR1 (0.57) TGFBR1MAPK14RIPK2ACVR1BTDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US claimed
JP-2006527720-A 2006-12-07 JP claimed
US-20060247233-A1 Thiazoles inhibitors of the alk-5 receptor SMITHKLINE BEECHAM CORPORATION 2006-11-02 US claimed
EP-1660494-A2 THIAZOLES AS INHIBITORS OF THE ALK-5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-05-31 EP claimed
WO-2004111046-A2 THIAZOLES AS INHIBITORS OF THE ALK- 5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO claimed
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
US-20060247233-A1 Thiazoles inhibitors of the alk-5 receptor SMITHKLINE BEECHAM CORPORATION 2006-11-02 US disclosed
EP-1660494-A2 THIAZOLES AS INHIBITORS OF THE ALK-5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2006-05-31 EP disclosed
WO-2004111046-A2 THIAZOLES AS INHIBITORS OF THE ALK- 5 RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2004-12-23 WO disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US 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 (2 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-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885MAPK14 319/4885RIPK2 650/4885
US-20060247233-A1 Thiazoles inhibitors of the alk-5 receptor SMAD3, ALK, SMAD2 TGFBR1 4/4885MAPK14 386/4885RIPK2 86/4885

“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.