SCHEMBL4821173

SCHEMBL4821173

Cc1cccc(-c2nn3c(c2-c2ccc4ncc(OCCO)nc4c2)CCC3)n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.62
TGFBR2 P37173 5/20 0.62
MAP3K20 Q9NYL2 4/20 0.62
CYP2D6 P10635 1/20 0.60
THRB P10828 6/20 0.59
MAPK14 Q16539 2/20 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
SCHEMBL24311946 0.92 TGFBR1 (0.60) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4822129 0.91 TGFBR1 (0.59) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4821254 0.91 TGFBR1 (0.63) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL24312011 0.91 TGFBR1 (0.61) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL14108283 0.90 TGFBR1 (0.66) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4815976 0.84 TGFBR1 (0.67) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4821382 0.84 TGFBR1 (0.56) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL24312353 0.83 TGFBR1 (0.64) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4821493 0.82 TGFBR1 (0.63) TGFBR1TGFBR2MAP3K20CYP2D6THRB
SCHEMBL4822897 0.82 TGFBR1 (0.73) TGFBR1TGFBR2MAP3K20CYP2D6THRB

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US claimed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP claimed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 WO claimed
US-8815920-B2 Substituted amide compound ASTELLAS PHARMA INC. (JP) 2014-08-26 US disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-7368445-B2 Fused pyrazole derivatives as TGF-β signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2008-05-06 US disclosed
US-7368445-B2 Fused pyrazole derivatives as TGF-β signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2008-05-06 US disclosed
US-7368445-B2 Fused pyrazole derivatives as TGF-β signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2008-05-06 US disclosed
US-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2007-07-05 US disclosed
US-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2007-07-05 US disclosed
US-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms ELI LILLY AND COMPANY (US) 2007-07-05 US disclosed
EP-1723146-A1 FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS ELI LILLY AND COMPANY (US) 2006-11-22 EP disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
WO-2005092894-A1 FUSED PYRAZOLE DERIVATIVES AS TGF-BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF FIBROSIS AND NEOPLASMS ELI LILLY AND COMPANY (US) 2005-10-06 WO disclosed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 TGFBR1 3/4885TGFBR2 4/4885MAP3K20 105/4885
US-20070155722-A1 Fused pyrazole derivatives as tgf-beta signal transduction inhibitors for the treatment of fibrosis and neoplasms SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885TGFBR2 3/4885MAP3K20 77/4885

“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.