SCHEMBL409352

SCHEMBL409352

C=CCOCc1ccc2c(-c3ccc(F)cc3)c(-c3cccc(C)n3)nn2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.43
THRB P10828 5/20 0.43
MAPK14 Q16539 11/20 0.40
CSNK1A1 P48729 2/20 0.40
CSNK1D P48730 2/20 0.40
CSNK1E P49674 1/20 0.40
TGFBR2 P37173 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
SCHEMBL414625 0.82 TGFBR1 (0.49) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL4874607 0.77 TGFBR1 (0.52) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL4865446 0.74 TGFBR1 (0.53) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL4869716 0.73 PTGS2 (0.53) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL4873313 0.73 TGFBR1 (0.51) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL4868119 0.73 MAPK14 (0.60) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL5234295 0.68 TGFBR1 (0.39) TGFBR1THRBMAPK14CSNK1A1CSNK1D
SCHEMBL413509 0.68 TGFBR1 (0.47) TGFBR1THRB
SCHEMBL4869260 0.66 TGFBR1 (0.52) TGFBR1THRBMAPK14
SCHEMBL413530 0.66 TGFBR1 (0.51) TGFBR1THRBMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP claimed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US claimed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP claimed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 WO claimed
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION HOWARD HUGHES MEDICAL INSTITUTE 2016-04-28 US disclosed
WO-2014201133-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-12-18 WO disclosed
US-20140120621-A1 TGF-BETA RECEPTOR INHIBITORS TO ENHANCE DIRECT REPROGRAMMING THE GENERAL HOSPITAL CORPORATION (US) 2014-05-01 US disclosed
US-8603818-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2013-12-10 US disclosed
US-8298825-B1 TGF-beta receptor inhibitors to enhance direct reprogramming THE GENERAL HOSPITAL CORPORATION (US) 2012-10-30 US disclosed
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US disclosed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP disclosed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (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 (2 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-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 TGFBR1 3/4885THRB 176/4885MAPK14 106/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885THRB 2669/4885MAPK14 421/4885

“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.