SCHEMBL411285

SCHEMBL411285

Cc1cccc(-c2nn3c(c2-c2ccc4c(c2)OCO4)CCC3)n1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.69
THRB P10828 8/20 0.69
MAPK14 Q16539 4/20 0.67
TGFBR2 P37173 4/20 0.62
MAP3K20 Q9NYL2 4/20 0.62
CYP2D6 P10635 1/20 0.62

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
SCHEMBL4819911 0.87 TGFBR1 (0.68) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL414595 0.86 TGFBR1 (0.62) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL414594 0.85 TGFBR1 (0.70) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL411721 0.83 TGFBR1 (0.75) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL413111 0.82 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL414544 0.82 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL4823846 0.81 TGFBR1 (0.69) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL413315 0.81 TGFBR1 (0.60) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL5233308 0.80 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL29832414 0.80 TGFBR1 (1.00) TGFBR1THRBMAPK14TGFBR2MAP3K20

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
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP claimed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US claimed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP claimed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO 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
WO-2012138945-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PYRAZOLE DERIVATIVE INHIBITORS OF TGF - BETA AESTUS THERAPEUTICS, INC. (US) 2012-10-11 WO 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
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 TGFBR1 1/4885THRB 500/4885MAPK14 546/4885
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.