SCHEMBL3393073

SCHEMBL3393073

Cc1cnc(C(=O)n2nc(-c3ccccc3)c3c(Cl)nc(N)nc32)c(C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 12/20 0.43
HSP90AB1 P08238 1/20 0.38
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
BTK Q06187 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK1D P48730 1/20 0.32

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
SCHEMBL3397606 0.84 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL3391504 0.77 HSP90AA1 (0.54) HSP90AA1HSP90AB1
SCHEMBL3395178 0.74 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL3395786 0.71 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL3424934 0.70 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL3393039 0.69 HSP90AA1 (0.54) HSP90AA1HSP90AB1PIK3CAMTORRICTOR
SCHEMBL3395839 0.67 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL14506499 0.67 HSP90AA1 (0.42) HSP90AA1HSP90AB1PIK3CAMTORRICTOR
SCHEMBL13539616 0.67 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL3395737 0.64 HSP90AA1 (0.46) HSP90AA1HSP90AB1

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-7148228-B2 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-12-12 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-06-02 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-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885HCRTR1 4796/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885HCRTR1 4796/4885

“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.