SCHEMBL3940756

SCHEMBL3940756

O=C(O)c1c(-c2ccccn2)nn2c1CCC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.56
TGFBR1 P36897 18/20 0.54
MAPK14 Q16539 3/20 0.53
TGFBR2 P37173 4/20 0.48
MAP3K20 Q9NYL2 3/20 0.48
KDM4E B2RXH2 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44

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
SCHEMBL4471552 0.82 TGFBR1 (0.52) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL4833839 0.82 KMT2A (0.46) THRBTGFBR1MAPK14KDM4E
SCHEMBL3944343 0.80 TGFBR1 (0.61) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL14108193 0.78 THRB (0.61) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL3944132 0.78 THRB (0.61) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL13932934 0.77 TGFBR1 (0.58) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL3941021 0.77 THRB (0.57) THRBTGFBR1MAPK14TGFBR2MAP3K20
SCHEMBL2522496 0.76 CSNK1D (0.47) THRBTGFBR1MAPK14KDM4E
SCHEMBL3359415 0.74 TGFBR1 (0.82) THRBTGFBR1MAPK14
SCHEMBL409222 0.74 TGFBR1 (0.73) THRBTGFBR1MAPK14TGFBR2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
US-7511056-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511056-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511056-B2 TGF-β inhibitors ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-7511065-B2 Mixed lineage kinase modulators ELI LILLY AND COMPANY (US) 2009-03-31 US disclosed
US-20080262004-A1 Tgf-Beta Inhibitors ELI LILLY AND COMPANY (US) 2008-10-23 US disclosed
US-20080262004-A1 Tgf-Beta Inhibitors ELI LILLY AND COMPANY (US) 2008-10-23 US disclosed
US-20080262004-A1 Tgf-Beta Inhibitors ELI LILLY AND COMPANY (US) 2008-10-23 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
WO-2006052568-A2 TGF-BETA INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-18 WO disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 WO 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
EP-1567528-A1 MIXED LINEAGE KINASE MODULATORS 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
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 WO disclosed
WO-2004048383-A1 MIXED LINEAGE KINASE MODULATORS ELI LILLY AND COMPANY (US) 2004-06-10 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 THRB 318/4885TGFBR1 3/4885MAPK14 199/4885
US-20080262004-A1 Tgf-Beta Inhibitors TGFB1, TGFBR1, TGFB2 THRB 108/4885TGFBR1 2/4885MAPK14 2372/4885

“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.