SCHEMBL414937

SCHEMBL414937

c1ccc(COc2cccc3c(-c4ccnc5ccccc45)c(-c4ccccn4)nn23)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 14/20 0.51
MAPK14 Q16539 8/20 0.51
THRB P10828 4/20 0.48
MCL1 Q07820 3/20 0.42
TGFBR2 P37173 1/20 0.39
ABL2 P42684 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
MAP3K20 Q9NYL2 1/20 0.39
P2RX7 Q99572 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37
GRM4 Q14833 1/20 0.36

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
SCHEMBL411347 0.81 TGFBR1 (0.47) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL413857 0.80 TGFBR1 (0.54) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL4874504 0.74 TGFBR1 (0.57) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL4872835 0.73 TGFBR1 (0.52) TGFBR1MAPK14THRBMCL1TGFBR2
SCHEMBL414938 0.70 TGFBR1 (0.57) TGFBR1MAPK14THRB
SCHEMBL373455 0.68 TGFBR1 (1.00) TGFBR1MAPK14THRBMCL1TGFBR2
SCHEMBL412403 0.67 TGFBR1 (0.62) TGFBR1MAPK14THRB
SCHEMBL6671184 0.67 TGFBR1 (0.61) TGFBR1MAPK14THRBMCL1TGFBR2
SCHEMBL4872219 0.67 TGFBR1 (0.51) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL4868582 0.66 MEN1 (0.46) TGFBR1MAPK14THRB

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
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
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 1/4885MAPK14 546/4885THRB 500/4885
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.