SCHEMBL4815752

SCHEMBL4815752

c1ccc(-c2nn3c(c2-c2nc4ccccc4s2)CCC3)nc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.62
THRB P10828 7/20 0.62
MAPK14 Q16539 5/20 0.62
TGFBR2 P37173 5/20 0.54
MAP3K20 Q9NYL2 4/20 0.54
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL18114979 0.81 TGFBR1 (0.46) TGFBR1THRBMAPK14KDM4ENPC1
SCHEMBL6101101 0.80 TGFBR1 (0.64) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL4822069 0.80 TGFBR1 (0.64) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL4817309 0.79 TGFBR1 (0.65) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL14108252 0.79 TGFBR1 (0.62) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL18115106 0.78 TGFBR1 (0.42) TGFBR1THRBMAPK14
SCHEMBL4819690 0.78 TGFBR1 (0.66) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL4819743 0.78 TGFBR1 (0.63) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL4823959 0.77 TGFBR1 (0.60) TGFBR1THRBMAPK14TGFBR2MAP3K20
SCHEMBL373535 0.77 TGFBR1 (1.00) 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 9 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-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-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US 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 (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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 TGFBR1 3/4885THRB 318/4885MAPK14 199/4885

“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.