SCHEMBL3395737

SCHEMBL3395737

Cc1cnc(C(=O)n2ncc3c(Cl)nc(N)nc32)c(C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 17/20 0.46
TRAP1 Q12931 4/20 0.46
HSP90AB1 P08238 12/20 0.45
ADA P00813 1/20 0.36
HSP90B1 P14625 2/20 0.35
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL3391792 0.85 HSP90AA1 (0.61) HSP90AA1TRAP1HSP90AB1ADAHSP90B1
SCHEMBL3395178 0.81 HSP90AA1 (0.44) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL3395599 0.81 HSP90AA1 (0.47) HSP90AA1TRAP1HSP90AB1HSP90B1HDAC4
SCHEMBL3393890 0.74 HSP90AA1 (0.72) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL3391842 0.73 HSP90AA1 (0.38) HSP90AA1TRAP1HSP90AB1HDAC4HDAC1
SCHEMBL4458924 0.72 TRAP1 (0.40) HSP90AA1TRAP1HSP90AB1ADAHSP90B1
SCHEMBL1395393 0.71 HSP90AB1 (0.46) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL4455752 0.69 ADA (0.45) HSP90AA1TRAP1HSP90AB1ADAHSP90B1
SCHEMBL3397606 0.69 HSP90AA1 (0.42) HSP90AA1TRAP1HSP90AB1HSP90B1
SCHEMBL3395786 0.69 HSP90AA1 (0.57) HSP90AA1TRAP1HSP90AB1HSP90B1HDAC4

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 4 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-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 3/4885TRAP1 9/4885HSP90AB1 2/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885TRAP1 9/4885HSP90AB1 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.