SCHEMBL3392217

SCHEMBL3392217

COc1cc(CCl)c(Cl)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.45
HSP90AB1 P08238 3/20 0.44
PTGS2 P35354 1/20 0.41
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CA9 Q16790 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
CA6 P23280 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL18480805 0.84 PTGS2 (0.50) HSP90AA1HSP90AB1PTGS2ACHECYP3A4
SCHEMBL1060215 0.82 HSP90AA1 (0.46) HSP90AA1HSP90AB1PTGS2ACHECYP3A4
SCHEMBL30844135 0.82 HTR2A (0.36) HSP90AA1HSP90AB1TAAR1HTR2A
SCHEMBL19197548 0.79 HSP90AA1 (0.58) HSP90AA1HSP90AB1PTGS2HTR2AHTR2C
SCHEMBL3392800 0.78 HSP90AA1 (0.44) HSP90AA1HSP90AB1PTGS2ACHECYP3A4
SCHEMBL3393633 0.78 CA2 (0.49) HSP90AA1HSP90AB1PTGS2ACHECA1
SCHEMBL20687019 0.75 HSP90AA1 (0.51) HSP90AA1HSP90AB1PTGS2ACHECA1
SCHEMBL20687070 0.75 HSP90AA1 (0.41) HSP90AA1HSP90AB1PTGS2
SCHEMBL4042555 0.75 CYP3A4 (0.45) ACHECYP3A4MAPTCA2TAAR1
SCHEMBL29643005 0.75 CYP3A4 (0.45) ACHECYP3A4MAPTCA2TAAR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101906106-A New heterogeneous ring compound as the HSP90-inhibitor CONFORMA THERAPEUTICS CORP 2010-12-08 CN disclosed
CN-1882589-B Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP 2010-06-09 CN disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 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-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-26 US disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN disclosed
US-7148228-B2 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-12-12 US disclosed
US-7138402-B2 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 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
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
US-20050107343-A1 Pyrrolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-19 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 (6 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 2/4885PTGS2 621/4885
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PTGS2 897/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PTGS2 621/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PTGS2 378/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PTGS2 897/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885PTGS2 378/4885

“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.