SCHEMBL4032798

SCHEMBL4032798

Cc1cccc(-c2nc(N)sc2-c2ccc3nn(C)nc3c2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.71
MAPK14 Q16539 2/20 0.71
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.41
XBP1 P17861 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TGFBR2 P37173 1/20 0.38
MAP3K20 Q9NYL2 1/20 0.38
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL4033122 0.91 TGFBR1 (0.58) TGFBR1MAPK14MAPTLMNAMAPK1
SCHEMBL5655965 0.88 TGFBR1 (0.55) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6
SCHEMBL4035145 0.83 TGFBR1 (1.00) TGFBR1MAPK14
SCHEMBL4034700 0.83 TGFBR1 (0.64) TGFBR1MAPK14MAPTLMNAMAPK1
SCHEMBL5695716 0.83 TGFBR1 (0.67) TGFBR1MAPK14MAPTLMNAMAPK1
SCHEMBL4035646 0.80 TGFBR1 (0.48) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6
SCHEMBL5654268 0.79 TGFBR1 (0.79) TGFBR1MAPK14
SCHEMBL4031539 0.79 TGFBR1 (0.44) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6
SCHEMBL5695727 0.78 TGFBR1 (0.64) TGFBR1MAPK14MAPTLMNAMAPK1
SCHEMBL5695736 0.77 TGFBR1 (0.58) TGFBR1MAPK14MEN1KMT2ATGFBR2

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 7 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
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
CN-1681810-A Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER PROD INC (US) 2005-10-12 CN disclosed
EP-1542994-A1 NOVEL TRIAZOLE AND OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110797-A1 Novel oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-10 US disclosed
WO-2004026863-A1 NOVEL OXAZOLE AND THIAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PRODUCTS INC. (US) 2004-04-01 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 (1 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 319/4885MAPT 1874/4885

“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.