SCHEMBL413528

SCHEMBL413528

c1cc(-c2nn3ccccc3c2-c2ccnc3ccccc23)nc(N2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.44
MAPK14 Q16539 5/20 0.44
THRB P10828 4/20 0.44
METAP1 P53582 2/20 0.42
PIM1 P11309 3/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ATR Q13535 1/20 0.40
ATRIP Q8WXE1 1/20 0.40
ACVR1B P36896 2/20 0.40
PIK3CA P42336 1/20 0.40
KDR P35968 1/20 0.40
TGFBR2 P37173 1/20 0.40
BMPR2 Q13873 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
LRRK2 Q5S007 2/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL413595 0.80 TGFBR1 (0.70) TGFBR1MAPK14THRBACVR1BKDR
SCHEMBL4872102 0.80 TGFBR1 (0.60) TGFBR1MAPK14THRBACVR1BKDR
SCHEMBL4865369 0.80 TGFBR1 (0.45) TGFBR1MAPK14THRBTGFBR2MAPT
SCHEMBL4868241 0.80 TGFBR1 (0.53) TGFBR1MAPK14THRBTGFBR2
SCHEMBL4874504 0.78 TGFBR1 (0.57) TGFBR1MAPK14THRBTGFBR2
SCHEMBL412070 0.78 TGFBR1 (0.42) TGFBR1MAPK14THRBTGFBR2
SCHEMBL411749 0.77 TGFBR1 (0.43) TGFBR1MAPK14THRBTGFBR2
SCHEMBL412729 0.77 TGFBR1 (0.46) TGFBR1MAPK14THRBTGFBR2
SCHEMBL411190 0.77 TGFBR1 (0.62) TGFBR1MAPK14THRBTGFBR2
SCHEMBL414310 0.76 TGFBR1 (0.46) TGFBR1MAPK14THRBTGFBR2

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-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
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION HOWARD HUGHES MEDICAL INSTITUTE 2016-04-28 US 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
WO-2010033906-A2 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-03-25 WO 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 TGFBR1 3/4885MAPK14 106/4885THRB 176/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885MAPK14 421/4885THRB 2669/4885

“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.