SCHEMBL4819639

SCHEMBL4819639

CCOC(=O)c1cnc2ccc(I)cn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.54
GAA P10253 4/20 0.52
KDM4E B2RXH2 3/20 0.52
GLA P06280 3/20 0.52
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
IDO1 P14902 5/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRA6 Q16445 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
SCHEMBL14108205 0.86 KDM4E (0.69) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL23728644 0.83 TGFBR1 (0.54) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL9941410 0.83 TGFBR1 (0.61) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL12928396 0.83 KDM4E (0.55) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL1649636 0.83 TGFBR1 (0.54) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL16691118 0.83 TGFBR1 (0.54) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL6284331 0.83 KDM4E (0.77) GAAKDM4EGLAALDH1A1HPGD
SCHEMBL26626620 0.82 TGFBR1 (0.58) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL5030840 0.82 TGFBR1 (0.53) TGFBR1GAAKDM4EGLAPIK3CD
SCHEMBL5028521 0.82 TGFBR1 (0.53) TGFBR1GAAKDM4EGLAPIK3CD

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 4 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 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 3/4885GAA 259/4885KDM4E 4107/4885

“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.