SCHEMBL3242736

SCHEMBL3242736

COc1ccnc2ccc(-c3c[nH]nc3-c3cccc(C)n3)cc12

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.48
MAPK14 Q16539 4/20 0.46
MTOR P42345 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
DOT1L Q8TEK3 1/20 0.38

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
SCHEMBL5138951 0.84 TGFBR1 (0.67) TGFBR1MAPK14MTOR
SCHEMBL25084732 0.83 TGFBR1 (0.45) TGFBR1MAPK14
SCHEMBL30155955 0.83 TGFBR1 (0.45) TGFBR1MAPK14
SCHEMBL29796522 0.83 TGFBR1 (0.47) TGFBR1MAPK14MTOR
SCHEMBL23389918 0.83 TGFBR1 (0.47) TGFBR1MAPK14MTOR
SCHEMBL29832794 0.82 TGFBR1 (0.58) TGFBR1MAPK14
SCHEMBL5139942 0.82 TGFBR1 (0.58) TGFBR1MAPK14
SCHEMBL6683670 0.80 TGFBR1 (0.48) TGFBR1MAPK14
SCHEMBL25085168 0.80 PIM1 (0.49) TGFBR1MAPK14
SCHEMBL5907484 0.79 TGFBR1 (0.50) TGFBR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080248-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS Pfizer Limited (GB) 2016-10-19 EP claimed
WO-2015087231-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS PFIZER LIMITED (GB) 2015-06-18 WO claimed
US-20150159134-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS PFIZER LIMITED (GB) 2015-06-11 US claimed
US-7151110-B2 Pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2006-12-19 US claimed
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2006-02-02 US claimed
EP-3080248-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS Pfizer Limited (GB) 2016-10-19 EP disclosed
WO-2015087231-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS PFIZER LIMITED (GB) 2015-06-18 WO disclosed
US-20150159134-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS PFIZER LIMITED (GB) 2015-06-11 US disclosed
US-20150159134-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS PFIZER LIMITED (GB) 2015-06-11 US disclosed
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
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
US-20040116474-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC 2004-06-17 US 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 (4 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-20150159134-A1 METHOD FOR PRODUCING RETINAL PIGMENT EPITHELIAL CELLS ALDH1A2, ALDH1A3, EYA3 TGFBR1 4643/4885MAPK14 4549/4885MTOR 4713/4885
US-20060025451-A1 Novel pyrazole compounds as transforming growth factor (TGF) inhibitors TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 189/4885MTOR 26/4885
US-20100056571-A1 NOVEL PYRAZOLE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885MAPK14 170/4885MTOR 30/4885
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 159/4885MTOR 20/4885

“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.