SCHEMBL3392818

SCHEMBL3392818

COCc1cnc(COC(C)=O)c(OC)c1C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.37
LMNA P02545 1/20 0.36
DPP4 P27487 5/20 0.34
ALDH1A1 P00352 1/20 0.33
PDE10A Q9Y233 2/20 0.32
PRKCE Q02156 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL3391874 0.82 AGXT (0.42) AGXTLMNADPP4ALDH1A1PDE10A
SCHEMBL3799664 0.78 AGXT (0.44) AGXTDPP4ALDH1A1
SCHEMBL7952261 0.78 AGXT (0.62) AGXTALDH1A1PDE10AKDM4ESMN1; SMN2
SCHEMBL3392251 0.77 AGXT (0.41) AGXTLMNAKDM4E
SCHEMBL9688618 0.77 AGXT (0.45) AGXTDPP4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2111401 0.77 AGXT (0.45) AGXTDPP4ALDH1A1KDM4E
SCHEMBL2112911 0.74 AGXT (0.45) AGXTDPP4ALDH1A1PDE10A
SCHEMBL3796812 0.73 AGXT (0.42) AGXTDPP4ALDH1A1KDM4E
SCHEMBL3393909 0.73 LMNA (0.44) AGXTLMNAALDH1A1PDE10AKDM4E
SCHEMBL18174873 0.71 CA2 (0.44) LMNAALDH1A1PRKCEKDM4E

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.