SCHEMBL2011373

SCHEMBL2011373

CCc1cc(OS(=O)(=O)C(F)(F)F)n(-c2cccc(C)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.42
IRAK4 Q9NWZ3 5/20 0.35
TGFB2 P61812 1/20 0.34
MAPT P10636 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL2012430 0.87 MAPT (0.42) TGFBR1IRAK4MAPTRECQLKDM4E
SCHEMBL4315973 0.86 TGFBR1 (0.45) TGFBR1IRAK4TGFB2MAPTRECQL
SCHEMBL27761145 0.85 TGFBR1 (0.45) TGFBR1IRAK4TGFB2MAPTRECQL
SCHEMBL2013870 0.76 TGFBR1 (0.43) TGFBR1IRAK4TGFB2
SCHEMBL25335825 0.75 TGFBR1 (0.37) TGFBR1IRAK4ALDH1A1
SCHEMBL2011183 0.74 TGFBR1 (0.38) TGFBR1IRAK4MAPTRECQLKDM4E
SCHEMBL22445262 0.73 DRD2 (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2008227 0.71 TGFBR1 (0.40) TGFBR1IRAK4RECQL
SCHEMBL2009561 0.71 TGFBR1 (0.51) TGFBR1IRAK4TGFB2MAPTRECQL
SCHEMBL17328622 0.71 TGFBR1 (0.51) TGFBR1IRAK4TGFB2MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2022-08-11 US disclosed
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS THERAPEUTICS, INC. (US) 2021-09-30 US disclosed
WO-2020256751-A1 ANTIB0DY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-12-24 WO disclosed
WO-2020256721-A1 ANTIB0DY-ALK5 INHIBITOR CONJUGATES AND THEIR USES SYNTHIS, LLC (US) 2020-12-24 WO disclosed
US-9938289-B2 Therapeutic pyrazolyl thienopyridines FBM THERAPEUTICS, LLC (US) 2018-04-10 US disclosed
US-20160200735-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES THIRONA BIO, INC. 2016-07-14 US disclosed
US-9260450-B2 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS, INC. (US) 2016-02-16 US disclosed
EP-2527345-B1 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS INC (US) 2015-12-16 EP disclosed
US-9090625-B2 Therapeutic pyrazolyl thienopyridines THESAN PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20150175624-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES THIRONA BIO, INC. 2015-06-25 US disclosed
US-20140031385-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES Medicis Phamaceutical Corporation (US) 2014-01-30 US disclosed
EP-2074128-B1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES MEDICIS PHARMACEUTICAL CORP (US) 2013-08-14 EP disclosed
US-8455512-B2 Therapeutic pyrazolyl thienopyridines MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-06-04 US disclosed
US-20110224251-A1 Therapeutic Pyrazolyl Thienopyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2011-09-15 US disclosed
US-7964612-B2 Therapeutic pyrazolyl thienopyridines GRACEWAY PHARMACEUTICALS, LLC (US) 2011-06-21 US disclosed
EP-2074128-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES Pfizer Products Incorporated (US) 2009-07-01 EP disclosed
WO-2008047198-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed
US-20080090861-A1 Cancer and fibrotic disorders such as scarring prevention; 2-(4-methyl-1-(6-methylpyridin-2-yl)-1H-pyrazol-5-yl)thieno[2,3-c]pyridine for example; activin receptor-like kinase-5 (ALK-5) inhibitors PFIZER INC. 2008-04-17 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 (7 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-20140031385-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885IRAK4 460/4885TGFB2 7/4885
US-20160200735-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885IRAK4 460/4885TGFB2 7/4885
US-20110224251-A1 Therapeutic Pyrazolyl Thienopyridines TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885IRAK4 460/4885TGFB2 7/4885
US-20220249680-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885IRAK4 978/4885TGFB2 1329/4885
US-20210299268-A1 ANTIBODY-ALK5 INHIBITOR CONJUGATES AND THEIR USES ALK, ALKBH5, ALKBH3 TGFBR1 528/4885IRAK4 978/4885TGFB2 1329/4885
US-20150175624-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885IRAK4 460/4885TGFB2 7/4885
US-20080090861-A1 Cancer and fibrotic disorders such as scarring prevention; 2-(4-methyl-1-(6-methylpyridin-2-yl)-1H-pyrazol-5-yl)thieno[2,3-c]pyridine for example; activin receptor-like kinase-5 (ALK-5) inhibitors ACVR1, TGFBR1, ACVRL1 TGFBR1 2/4885IRAK4 102/4885TGFB2 23/4885

“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.