SCHEMBL2012989

SCHEMBL2012989

COCNC(=O)c1cc2cnccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC3 O15379 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
NAMPT P43490 9/20 0.50
CYP2A6 P11509 4/20 0.45
CLK1 P49759 2/20 0.44
RAB9A P51151 1/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
RET P07949 1/20 0.43
PIM1 P11309 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
FLT1 P17948 1/20 0.43

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
SCHEMBL5550334 0.90 CHEK1 (0.56) NAMPTCHEK1AURKADAPK3PRKD3
SCHEMBL10855370 0.82 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL2176222 0.80 HDAC1 (0.52) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL160500 0.80 CDK8 (0.49) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL10857362 0.80 HDAC1 (0.60) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL2009820 0.75 DYRK1A (0.56) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL2010041 0.75 HDAC1 (0.49) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL11070341 0.74 CDC7 (0.53) HDAC1HDAC2HDAC3NCOR2CYP2A6
SCHEMBL844056 0.74 BCL2L1 (0.58) HDAC1HDAC2HDAC3NCOR2NAMPT
SCHEMBL2012991 0.73 CLK1 (0.63) HDAC1HDAC2HDAC3NCOR2CYP2A6

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 HDAC1 342/4885HDAC2 652/4885HDAC3 437/4885
US-20160200735-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 HDAC1 342/4885HDAC2 652/4885HDAC3 437/4885
US-20110224251-A1 Therapeutic Pyrazolyl Thienopyridines TGFBR1, SMAD3, TGFBR2 HDAC1 342/4885HDAC2 652/4885HDAC3 437/4885
US-20150175624-A1 THERAPEUTIC PYRAZOLYL THIENOPYRIDINES TGFBR1, SMAD3, TGFBR2 HDAC1 342/4885HDAC2 652/4885HDAC3 437/4885
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 HDAC1 711/4885HDAC2 1451/4885HDAC3 868/4885

“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.