SCHEMBL4489424

SCHEMBL4489424

Cc1cccc(-c2[nH]c(-c3ccc(C#N)cc3)nc2-c2ccc3nn(C)nc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.54
MAPK14 Q16539 8/20 0.50
PRKD1 Q15139 1/20 0.49
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MTOR P42345 1/20 0.45
RAF1 P04049 1/20 0.43
IDO1 P14902 1/20 0.41

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
SCHEMBL4490850 0.87 MAPK14 (0.47) TGFBR1MAPK14MTOR
SCHEMBL5497235 0.86 TGFBR1 (0.70) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL5497047 0.85 TGFBR1 (0.54) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL5139077 0.85 TGFBR1 (0.56) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL4481445 0.82 TGFBR1 (0.53) TGFBR1MAPK14PRKD1MTOR
SCHEMBL5138611 0.79 MAPK14 (0.51) TGFBR1MAPK14PRKD1MAPK13MAPK12
SCHEMBL4490514 0.78 TGFBR1 (0.48) TGFBR1MAPK14PRKD1MTOR
SCHEMBL4486059 0.78 TGFBR1 (0.49) TGFBR1MAPK14MTOR
SCHEMBL5503286 0.78 TGFBR1 (0.74) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL5500967 0.77 MAPK14 (0.49) TGFBR1MAPK14PRKD1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2007-04-19 US claimed
US-7635702-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2009-12-22 US disclosed
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2007-04-19 US disclosed
US-7153872-B2 Imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-26 US disclosed
CN-1681805-A Novel imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER PROD INC (US) 2005-10-12 CN disclosed
EP-1542990-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-03 US disclosed
WO-2004026859-A1 NOVEL IMIDAZOLE 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 (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-20040106608-A1 Novel imidazole compounds as transforming growth factor (TGF) inhibitors SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885MAPK14 290/4885PRKD1 1406/4885
US-20070088037-A1 NOVEL IMIDAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 315/4885PRKD1 1433/4885

“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.