SCHEMBL3391874

SCHEMBL3391874

COCc1cnc(CO)c(OC)c1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.42
LMNA P02545 2/20 0.41
DPP4 P27487 2/20 0.38
KDM4E B2RXH2 3/20 0.34
GFER P55789 1/20 0.34
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 3/20 0.32
PDXK O00764 1/20 0.32
DHFR P00374 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL3392251 0.85 AGXT (0.41) AGXTLMNAKDM4EDHFR
SCHEMBL3392818 0.82 AGXT (0.37) AGXTLMNADPP4KDM4EALDH1A1
SCHEMBL3393909 0.80 LMNA (0.44) AGXTLMNAKDM4EGFERNPC1
SCHEMBL10440855 0.78 AGXT (0.51) AGXTDPP4KDM4EHTTALDH1A1
SCHEMBL3802246 0.74 AGXT (0.44) AGXTLMNADPP4KDM4EGFER
SCHEMBL3392208 0.73 KDM4E (0.47) AGXTLMNADPP4KDM4EGFER
SCHEMBL3876836 0.72 AGXT (0.42) AGXTDPP4GFERPDE10ADHFR
SCHEMBL191418 0.71 AGXT (0.45) AGXTDPP4KDM4EGFERALDH1A1
SCHEMBL3796805 0.71 AGXT (0.41) AGXTLMNADPP4KDM4EGFER
SCHEMBL1060082 0.71 AGXT (0.66) AGXTKDM4EHTTALDH1A1HPGD

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 1906/4885LMNA 4492/4885DPP4 3812/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 AGXT 1906/4885LMNA 4492/4885DPP4 3812/4885

“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.