SCHEMBL4035646

SCHEMBL4035646

Cc1cccc(-c2ncsc2-c2ccc3nn(C)nc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.48
MAPK14 Q16539 3/20 0.48
TGFBR2 P37173 2/20 0.41
MAP3K20 Q9NYL2 2/20 0.41
MTOR P42345 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4033452 0.91 TGFBR1 (0.45) TGFBR1MAPK14TGFBR2MAP3K20MTOR
SCHEMBL4030553 0.84 TGFBR1 (0.67) TGFBR1MAPK14MTOR
SCHEMBL4029479 0.83 TGFBR1 (0.43) TGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL5655965 0.82 TGFBR1 (0.55) TGFBR1MAPK14TGFBR2MAP3K20MTOR
SCHEMBL4032798 0.80 TGFBR1 (0.71) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6
SCHEMBL4033134 0.80 TGFBR1 (0.56) TGFBR1MAPK14
SCHEMBL4032155 0.77 TGFBR1 (0.44) TGFBR1MAPK14TGFBR2MAP3K20MTOR
SCHEMBL4031539 0.77 TGFBR1 (0.44) TGFBR1MAPK14TGFBR2MAP3K20MTOR
SCHEMBL5695786 0.77 TGFBR1 (0.46) TGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL4860133 0.77 TGFBR1 (0.44) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6

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 6 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
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 319/4885TGFBR2 2/4885

“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.