SCHEMBL412382

SCHEMBL412382

Fc1ccc(-c2c(-c3cccc(C(F)(F)F)n3)nn3c2CCC3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 1.00
THRB P10828 11/20 1.00
MAPK14 Q16539 3/20 0.56
MAP3K20 Q9NYL2 3/20 0.46
TGFBR2 P37173 3/20 0.46
CYP2D6 P10635 1/20 0.46
KCNK3 O14649 1/20 0.43

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
SCHEMBL414761 0.84 TGFBR1 (1.00) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL29832414 0.84 TGFBR1 (1.00) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL5237620 0.81 TGFBR1 (1.00) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL6630731 0.81 TGFBR1 (0.74) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL23217949 0.80 TGFBR1 (0.66) TGFBR1THRBMAPK14KCNK3
SCHEMBL412969 0.79 THRB (1.00) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL24312342 0.76 TGFBR1 (0.60) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL24312017 0.76 TGFBR1 (0.60) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL23217922 0.76 TGFBR1 (0.60) TGFBR1THRBMAPK14MAP3K20TGFBR2
SCHEMBL413009 0.75 TGFBR1 (0.81) TGFBR1THRBMAPK14MAP3K20TGFBR2

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 20 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
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN claimed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN 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
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
CN-1951939-A Novel pyrrole derivatives as pharmaceutical agents LILLY CO ELI (US) 2007-04-25 CN disclosed
CN-1269820-C Novel pyrrole derivatives as medicaments LILLY CO ELI (US) 2006-08-16 CN disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
CN-1511157-A Novel pyrrole derivatives as medicaments 2004-07-07 CN 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.