SCHEMBL3393909

SCHEMBL3393909

COCc1cnc(C)c(OC)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HSP90AB1 P08238 2/20 0.42
HSP90AA1 P07900 1/20 0.41
AGXT P21549 1/20 0.39
DHFR P00374 3/20 0.33
GFER P55789 1/20 0.33
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 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.30
SLC22A1 O15245 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 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
SCHEMBL3392208 0.81 KDM4E (0.47) LMNAKDM4EHSP90AB1HSP90AA1AGXT
SCHEMBL3395256 0.81 HSP90AB1 (0.42) LMNAKDM4EHSP90AB1HSP90AA1AGXT
SCHEMBL3797317 0.81 HSP90AB1 (0.45) LMNAKDM4EHSP90AB1HSP90AA1AGXT
SCHEMBL4276650 0.81 KDM4E (0.47) LMNAKDM4EHSP90AB1HSP90AA1AGXT
SCHEMBL3391874 0.80 AGXT (0.42) LMNAKDM4EAGXTDHFRGFER
SCHEMBL3392251 0.79 AGXT (0.41) LMNAKDM4EAGXTDHFR
SCHEMBL18617669 0.74 KDM4E (0.45) LMNAKDM4EHSP90AB1HSP90AA1AGXT
SCHEMBL3392818 0.73 AGXT (0.37) LMNAKDM4EAGXTALDH1A1PDE10A
SCHEMBL13015490 0.73 AGXT (0.44) HSP90AB1HSP90AA1AGXTDHFRMAOA
SCHEMBL27630752 0.71 ALDH1A1 (0.40) LMNAKDM4EHSP90AB1HSP90AA1AGXT

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 LMNA 4492/4885KDM4E 3577/4885HSP90AB1 2/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 LMNA 4492/4885KDM4E 3577/4885HSP90AB1 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.