SCHEMBL413882

SCHEMBL413882

Clc1cc(-c2c(-c3ccccn3)nn3c2CCC3)ccn1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.66
TGFBR1 P36897 19/20 0.63
TGFBR2 P37173 5/20 0.62
MAP3K20 Q9NYL2 5/20 0.62
MAPK14 Q16539 4/20 0.61

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
SCHEMBL412653 0.84 THRB (0.77) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL413657 0.82 TGFBR1 (0.73) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL4820595 0.81 TGFBR1 (0.72) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL4817153 0.80 THRB (0.67) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL412969 0.80 THRB (1.00) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL411406 0.80 TGFBR1 (0.69) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL4819640 0.79 THRB (0.65) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL4823863 0.79 THRB (0.62) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL4823237 0.79 TGFBR1 (0.68) THRBTGFBR1TGFBR2MAP3K20MAPK14
SCHEMBL4819320 0.78 TGFBR1 (0.67) THRBTGFBR1TGFBR2MAP3K20MAPK14

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 15 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
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
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 (1 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 THRB 500/4885TGFBR1 1/4885TGFBR2 3/4885

“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.