SCHEMBL411406

SCHEMBL411406

c1ccc(-c2nn3c(c2-c2ccc4ncccc4c2)CCC3)nc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 19/20 0.69
TGFBR2 P37173 7/20 0.69
MAP3K20 Q9NYL2 7/20 0.69
THRB P10828 6/20 0.67
MAPK14 Q16539 4/20 0.60
CYP2D6 P10635 1/20 0.52

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
SCHEMBL413657 0.90 TGFBR1 (0.73) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL4820595 0.89 TGFBR1 (0.72) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL408963 0.87 TGFBR1 (0.69) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL18115073 0.84 THRB (0.60) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL4823237 0.83 TGFBR1 (0.68) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL4819320 0.83 TGFBR1 (0.67) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL18114995 0.83 TGFBR1 (0.59) TGFBR1TGFBR2MAP3K20THRBCYP2D6
SCHEMBL24311945 0.82 TGFBR1 (0.58) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL4817309 0.82 TGFBR1 (0.65) TGFBR1TGFBR2MAP3K20THRBMAPK14
SCHEMBL18115033 0.82 TGFBR1 (0.50) TGFBR1TGFBR2MAP3K20THRBMAPK14

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 17 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
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
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
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
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 1/4885TGFBR2 3/4885MAP3K20 323/4885
US-20160115447-A1 COMPOSITIONS AND METHODS FOR IMPROVING INDUCED NEURON GENERATION PLK1, GAP43, NEFM TGFBR1 2217/4885TGFBR2 1904/4885MAP3K20 106/4885

“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.