SCHEMBL2013870

SCHEMBL2013870

CCc1cnn(-c2cccc(C)n2)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.43
TGFB2 P61812 1/20 0.43
IRAK4 Q9NWZ3 16/20 0.38
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33

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
SCHEMBL2008227 0.87 TGFBR1 (0.40) TGFBR1IRAK4
SCHEMBL2011183 0.77 TGFBR1 (0.38) TGFBR1IRAK4
SCHEMBL2011373 0.76 TGFBR1 (0.42) TGFBR1TGFB2IRAK4
SCHEMBL2012430 0.73 MAPT (0.42) TGFBR1IRAK4KDM5AKDM4CKDM5B
SCHEMBL2010390 0.73 TGFBR1 (0.44) TGFBR1
SCHEMBL27761146 0.72 TGFBR1 (0.41) TGFBR1TGFB2IRAK4
SCHEMBL2007709 0.72 TGFBR1 (0.51) TGFBR1TGFB2IRAK4
SCHEMBL6985382 0.68 PDE4A (0.40)
SCHEMBL20646134 0.65 GUCY1A1 (0.67) GUCY1A1GUCY1B1
SCHEMBL17440325 0.65 KDM4E (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (5 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 1/4885TGFB2 7/4885IRAK4 460/4885
US-20160200735-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TGFB2 7/4885IRAK4 460/4885
US-20110224251-A1 Therapeutic Pyrazolyl Thienopyridines TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TGFB2 7/4885IRAK4 460/4885
US-20150175624-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885TGFB2 7/4885IRAK4 460/4885
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 2/4885TGFB2 23/4885IRAK4 102/4885

“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.