SCHEMBL407855

SCHEMBL407855

CSc1ccc(-c2c(-c3cccc(SC)n3)nn3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
ADORA1 P30542 2/20 0.43
EGFR P00533 1/20 0.43
RAF1 P04049 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
GSK3B P49841 1/20 0.43
AKT1 P31749 1/20 0.39
MAPK1 P28482 2/20 0.34
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
ALDH1A3 P47895 1/20 0.33
MYC P01106 1/20 0.33
ADCY10 Q96PN6 1/20 0.33
THRB P10828 3/20 0.32
TGFBR1 P36897 3/20 0.32
IGF1R P08069 2/20 0.32
MAPK3 P27361 1/20 0.32
PDE5A O76074 2/20 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
SCHEMBL412808 0.89 MAPK14 (0.56) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4862130 0.78 TGFBR1 (0.53) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL6595931 0.78 MAPK14 (0.70) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4873701 0.77 AKT1 (0.46) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4865628 0.76 MAPK14 (0.44) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4868119 0.76 MAPK14 (0.60) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4872159 0.76 TGFBR1 (0.55) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4870968 0.74 MAPK14 (0.57) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4872629 0.74 THRB (0.56) MAPK14ADORA1EGFRRAF1ADORA3
SCHEMBL4874441 0.74 MAPK14 (0.43) MAPK14ADORA1EGFRRAF1ADORA3

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 16 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
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 MAPK14 106/4885ADORA1 3045/4885EGFR 1392/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM MAPK14 421/4885ADORA1 4290/4885EGFR 3968/4885

“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.