SCHEMBL4874409

SCHEMBL4874409

COC(=O)CCc1ccc2c(-c3c(-c4cccc(C)n4)nn4ccccc34)ccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 20/20 0.43
MAPK14 Q16539 6/20 0.43
THRB P10828 3/20 0.43
KDR P35968 3/20 0.41
TGFBR2 P37173 2/20 0.41
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
MAP4K4 O95819 1/20 0.41
ACVR1B P36896 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41
TGFB2 P61812 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
COQ8A Q8NI60 1/20 0.41
TNIK Q9UKE5 1/20 0.41
RIPK3 Q9Y572 1/20 0.41

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
SCHEMBL411895 0.90 TGFBR1 (0.45) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL408383 0.86 TGFBR1 (0.39) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL411795 0.86 TGFBR1 (0.38) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL411796 0.86 TGFBR1 (0.48) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL4868122 0.84 TGFBR1 (0.57) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL412610 0.83 TGFBR1 (0.46) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL12588696 0.83 TGFBR1 (0.43) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL410777 0.83 TGFBR1 (0.43) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL413597 0.82 TGFBR1 (0.48) TGFBR1MAPK14THRBKDRTGFBR2
SCHEMBL409443 0.81 TGFBR1 (0.57) TGFBR1MAPK14THRBKDRTGFBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US claimed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP claimed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US claimed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP claimed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 WO claimed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US disclosed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP disclosed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 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-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 TGFBR1 3/4885MAPK14 106/4885THRB 176/4885

“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.