SCHEMBL3393039

SCHEMBL3393039

Cc1cnc(Cn2nc(-c3ccccc3)c3c(Cl)nc(N)nc32)c(C)c1Br

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.54
HSP90AB1 P08238 9/20 0.54
TRAP1 Q12931 2/20 0.43
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
RICTOR Q6R327 1/20 0.40
RPTOR Q8N122 1/20 0.40
MAPKAP1 Q9BPZ7 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
HSP90B1 P14625 1/20 0.39

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
SCHEMBL3391504 0.90 HSP90AA1 (0.54) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL3424934 0.87 HSP90AA1 (0.68) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL3392837 0.84 HSP90AA1 (0.61) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL14567707 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL14506487 0.82 HSP90AA1 (0.58) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL14506507 0.81 HSP90AA1 (0.57) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL14506477 0.81 HSP90AA1 (0.57) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL13539622 0.80 HSP90AA1 (0.76) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL13539626 0.75 HSP90AA1 (0.69) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL3393890 0.75 HSP90AA1 (0.72) HSP90AA1HSP90AB1TRAP1HSP90B1

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 7 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
WO-2007035963-A2 ANTI-TUMOR METHODS USING MULTI DRUG RESISTANCE INDEPENDENT SYNTHETIC HSP90 INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-03-29 WO 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 2/4885TRAP1 9/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885TRAP1 9/4885

“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.