SCHEMBL5239148

SCHEMBL5239148

CCOC(=O)c1cc(-c2c(-c3ccccn3)nn3c2CCC3)c2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.65
THRB P10828 6/20 0.59
MAPK14 Q16539 6/20 0.59

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
SCHEMBL5235790 0.94 TGFBR1 (0.56) TGFBR1THRBMAPK14
SCHEMBL411689 0.84 TGFBR1 (0.71) TGFBR1THRBMAPK14
SCHEMBL29832035 0.83 TGFBR1 (0.78) TGFBR1THRBMAPK14
SCHEMBL409531 0.80 TGFBR1 (0.74) TGFBR1THRBMAPK14
SCHEMBL412882 0.80 TGFBR1 (0.70) TGFBR1THRBMAPK14
SCHEMBL372373 0.79 TGFBR1 (1.00) TGFBR1THRBMAPK14
SCHEMBL411832 0.78 TGFBR1 (0.72) TGFBR1THRBMAPK14
SCHEMBL4471552 0.78 TGFBR1 (0.52) TGFBR1THRBMAPK14
SCHEMBL373954 0.77 TGFBR1 (0.75) TGFBR1THRBMAPK14
SCHEMBL5240634 0.77 TGFBR1 (0.75) TGFBR1THRBMAPK14

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 6 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 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 TGFBR1 1/4885THRB 500/4885MAPK14 546/4885

“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.