SCHEMBL4029883

SCHEMBL4029883

Cc1cccc(-c2oc(C)nc2-c2ccc3nn(C)nc3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.39
MTOR P42345 1/20 0.38
TGFBR2 P37173 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37
MAPK14 Q16539 5/20 0.37
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
PTGS2 P35354 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4033073 0.90 TGFBR1 (0.42) TGFBR1MTORTGFBR2MAP3K20MAPK14
SCHEMBL4032537 0.82 TGFBR1 (0.58) TGFBR1MTORMAPK14
SCHEMBL4032039 0.82 FAAH (0.38) TGFBR1MTORTGFBR2MAP3K20MAPK14
SCHEMBL4031582 0.82 TGFBR1 (0.44) TGFBR1MTORTGFBR2MAP3K20MAPK14
SCHEMBL4035598 0.78 TGFBR1 (0.51) TGFBR1MTORTGFBR2MAPK14
SCHEMBL4032155 0.78 TGFBR1 (0.44) TGFBR1MTORTGFBR2MAP3K20MAPK14
SCHEMBL4481445 0.76 TGFBR1 (0.53) TGFBR1MTORMAPK14
SCHEMBL4031539 0.76 TGFBR1 (0.44) TGFBR1MTORTGFBR2MAP3K20MAPK14
SCHEMBL4033287 0.75 TGFBR1 (0.34) TGFBR1MTORMAPK14CCR1CCR8
SCHEMBL4033452 0.75 TGFBR1 (0.45) TGFBR1MTORTGFBR2MAP3K20MAPK14

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
EP-1542994-B1 NOVEL OXAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITOR PFIZER PROD INC (US) 2009-04-29 EP 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 1/4885MTOR 73/4885TGFBR2 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.