SCHEMBL3390553

SCHEMBL3390553

COc1cc(Cn2ccc3c(Cl)nc(N)nc32)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.65
HSP90AB1 P08238 4/20 0.65
PDGFRB P09619 1/20 0.60
KDR P35968 1/20 0.60
DHFR P00374 1/20 0.57
SLC2A1 P11166 1/20 0.57
HDAC6 Q9UBN7 9/20 0.54
HDAC1 Q13547 5/20 0.54
HDAC4 P56524 4/20 0.54
HDAC2 Q92769 1/20 0.47

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
SCHEMBL3396216 0.85 HSP90AA1 (0.56) HSP90AA1HSP90AB1PDGFRBKDRSLC2A1
SCHEMBL13539955 0.85 HSP90AA1 (0.68) HSP90AA1HSP90AB1PDGFRBKDRHDAC6
SCHEMBL14453441 0.84 HSP90AA1 (0.61) HSP90AA1HSP90AB1PDGFRBKDRHDAC6
SCHEMBL3389586 0.83 HSP90AA1 (0.69) HSP90AA1HSP90AB1PDGFRBKDRHDAC6
SCHEMBL3394587 0.83 HSP90AA1 (0.69) HSP90AA1HSP90AB1PDGFRBKDRHDAC6
SCHEMBL3397235 0.83 HDAC6 (0.61) HSP90AA1HSP90AB1HDAC6HDAC1HDAC4
SCHEMBL13539713 0.81 HSP90AA1 (0.60) HSP90AA1HSP90AB1PDGFRBKDRHDAC6
SCHEMBL3395287 0.81 HSP90AA1 (0.54) HSP90AA1HSP90AB1PDGFRBHDAC6HDAC1
SCHEMBL13539715 0.81 HSP90AA1 (0.72) HSP90AA1HSP90AB1HDAC6HDAC1HDAC4
SCHEMBL3393621 0.80 SLC2A1 (0.58) HSP90AA1KDRSLC2A1HDAC6HDAC1

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-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 US 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-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PDGFRB 1407/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PDGFRB 1407/4885

“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.