SCHEMBL3595502

SCHEMBL3595502

Cc1cccc(-c2n[nH]cc2-c2ccc3nnn(C)c3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.41
TDO2 P48775 2/20 0.39
MAPK14 Q16539 2/20 0.38
TGFBR2 P37173 1/20 0.37
MAP3K20 Q9NYL2 1/20 0.37
MAT2A P31153 1/20 0.36
SLC9A1 P19634 1/20 0.35
KEAP1 Q14145 1/20 0.35
MAPK1 P28482 1/20 0.34
NOTUM Q6P988 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
SCHEMBL3247927 0.83 TGFBR1 (0.46) TGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL5696812 0.82 TGFBR1 (0.55) TGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL3244265 0.81 TGFBR1 (0.58) TGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL4035152 0.79 TGFBR1 (0.49) TGFBR1MAPK14TGFBR2MAP3K20SLC9A1
SCHEMBL5138951 0.78 TGFBR1 (0.67) TGFBR1MAPK14
SCHEMBL5696719 0.78 TGFBR1 (0.45) TGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL5201166 0.77 TGFBR1 (0.48) TGFBR1TDO2MAPK14
SCHEMBL5696771 0.77 TGFBR1 (0.46) TGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL6076066 0.76 TGFBR1 (0.47) TGFBR1MAPK14
SCHEMBL4030303 0.76 TGFBR1 (0.39) TGFBR1MAPK14TGFBR2MAP3K20SLC9A1

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-6958354-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2005-10-25 US claimed
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER INC. (US) 2010-03-04 US disclosed
US-7638537-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2009-12-29 US disclosed
EP-1542684-B1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PROD INC (US) 2009-12-02 EP disclosed
US-20070117850-A1 substituted or unsubstituted 2-pyridyl moiety and a pyrozole ring substituted at 4 position with pyridine ring; inhibits the TGF-beta signaling pathway; anticancer, antifibrotic, antitumor, and antiproliferative agents PFIZER INC. (US) 2007-05-24 US disclosed
US-7151110-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-19 US disclosed
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2006-02-02 US disclosed
US-6958354-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2005-10-25 US disclosed
EP-1542684-A2 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040116474-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-17 US disclosed
WO-2004026306-A2 PYRAZOLE DERIVATIVES 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 (3 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-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TDO2 3645/4885MAPK14 189/4885
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TDO2 3588/4885MAPK14 170/4885
US-20070117850-A1 substituted or unsubstituted 2-pyridyl moiety and a pyrozole ring substituted at 4 position with pyridine ring; inhibits the TGF-beta signaling pathway; anticancer, antifibrotic, antitumor, and antiproliferative agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TDO2 2774/4885MAPK14 159/4885

“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.