SCHEMBL3393831

SCHEMBL3393831

COc1cc(Cn2nc(C)c3c(Cl)nc(N)nc32)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.57
HSP90AB1 P08238 6/20 0.57
DHFR P00374 2/20 0.42
SLC2A1 P11166 1/20 0.41
TRAP1 Q12931 1/20 0.40

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
SCHEMBL14568048 0.81 HSP90AA1 (0.49) HSP90AA1HSP90AB1TRAP1
SCHEMBL3396772 0.78 HSP90AA1 (0.61) HSP90AA1HSP90AB1DHFRSLC2A1TRAP1
SCHEMBL3396109 0.78 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL14568049 0.77 HSP90AB1 (0.64) HSP90AA1HSP90AB1TRAP1
SCHEMBL3393936 0.76 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRAP1
SCHEMBL14506471 0.76 HSP90AA1 (0.41) HSP90AA1HSP90AB1TRAP1
SCHEMBL14506469 0.75 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRAP1
SCHEMBL3390553 0.73 HSP90AA1 (0.65) HSP90AA1HSP90AB1DHFRSLC2A1
SCHEMBL3393012 0.73 HSP90AB1 (1.00) HSP90AA1HSP90AB1TRAP1
SCHEMBL12496384 0.70 HSP90AA1 (0.54) HSP90AA1HSP90AB1DHFR

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-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7148228-B2 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-12-12 US disclosed
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-06-02 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-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885DHFR 417/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885DHFR 417/4885

“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.