SCHEMBL3395441

SCHEMBL3395441

CC(=O)OCc1ncc(C)c(I)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.32
ELANE P08246 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL3393935 0.85 AGXT (0.40) AGXTHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL3392712 0.81 CA2 (0.38) AGXTHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL8195868 0.81 HSP90AA1 (0.39) AGXTHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL7952261 0.79 AGXT (0.62) AGXTHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL2110182 0.79 AGXT (0.36) AGXTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9784656 0.78 AGXT (0.45) AGXTHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL3395997 0.78 HSP90AA1 (0.39) AGXTHSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL3799771 0.77 MEN1 (0.36) AGXTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6950031 0.76 HSP90AA1 (0.41) AGXTHSP90AA1HSP90AB1ALDH1A1MEN1
SCHEMBL2111929 0.75 ALDH1A1 (0.37) AGXTHSP90AA1HSP90AB1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 AGXT 1906/4885HSP90AA1 3/4885HSP90AB1 2/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 AGXT 1906/4885HSP90AA1 3/4885HSP90AB1 2/4885

“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.