SCHEMBL3240693

SCHEMBL3240693

Cc1cccc(-c2nn(C)cc2-c2ccc3c(c2)OCO3)n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.59
MAPK14 Q16539 4/20 0.59
RIPK2 O43353 1/20 0.52
ACVR1B P36896 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK9 P45984 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
SCHEMBL5930712 0.84 TGFBR1 (0.48) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5138393 0.82 TGFBR1 (0.47) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5137965 0.82 TGFBR1 (0.47) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5186774 0.80 TGFBR1 (0.54) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5138791 0.80 TGFBR1 (0.46) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL27628468 0.80 TGFBR1 (0.44) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL15849494 0.79 TGFBR1 (0.62) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5139748 0.79 TGFBR1 (0.46) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL3242826 0.78 TGFBR1 (0.55) TGFBR1MAPK14RIPK2ACVR1BTDP1
SCHEMBL5200243 0.76 TGFBR1 (0.49) TGFBR1MAPK14RIPK2ACVR1BTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2006-02-02 US claimed
EP-2165708-A2 NEW PYRAZOLE DERIVATIVES AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS Pfizer Products Inc. (US) 2010-03-24 EP disclosed
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 1/4885MAPK14 189/4885RIPK2 181/4885
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 170/4885RIPK2 167/4885
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 1/4885MAPK14 159/4885RIPK2 59/4885

“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.