SCHEMBL311495

SCHEMBL311495

COc1c(C)c[n+]([O-])c(CCl)c1C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
AGXT P21549 1/20 0.30

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
SCHEMBL4962613 0.82 HSP90AA1 (0.43) HSP90AA1HSP90AB1AGXT
SCHEMBL3393659 0.76
SCHEMBL4546154 0.75 HSP90AA1 (0.36) HSP90AA1HSP90AB1AGXT
SCHEMBL29384627 0.75 HSP90AA1 (0.36) HSP90AA1HSP90AB1AGXT
SCHEMBL3389571 0.74
SCHEMBL8830029 0.72 HSP90AA1 (0.34) HSP90AA1HSP90AB1AGXT
SCHEMBL9702186 0.69 ALDH1A1 (0.36)
SCHEMBL29880665 0.69 ALDH1A1 (0.36)
SCHEMBL8830019 0.69 HSD17B10 (0.40) HSP90AA1HSP90AB1
SCHEMBL192045 0.68 HSP90AA1 (0.34) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484265-A1 A process for the preparation of omeprazol CENTRO GENESIS PARA LA INVESTIGACION, S.L. (ES) 1992-05-06 EP claimed
CN-103880741-A Preparation method of 2-chloromethyl-3,5-dimethyl-4-alkoxypyridyl-N-oxide ANHUI COSTAR BIO CHEMICAL CO LTD 2014-06-25 CN disclosed
US-8093229-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2012-01-10 US disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 WO disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2009-12-24 US disclosed
US-7544672-B2 Alkynyl pyrrolo[2,3-d]pyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2009-06-09 US disclosed
EP-1869027-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2007-12-26 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-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
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION 2006-10-05 US disclosed
WO-2006105372-A2 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-05 WO 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
EP-0484265-A1 A process for the preparation of omeprazol CENTRO GENESIS PARA LA INVESTIGACION, S.L. (ES) 1992-05-06 EP 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 (7 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 2/4885AGXT 2774/4885
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 2468/4885
US-20090318387-A1 ALKYNYL PYRROLO[2,3-d]PYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 2737/4885
US-20060223797-A1 ALKYNYL PYRROLOPYRIMIDINES AND RELATED ANALOGS AS HSP90-INHIBITORS HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 2208/4885
US-20070173483-A1 Pyrrolopyrimidines and Related Analogs as HSP90-Inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 2774/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 1906/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 1906/4885

“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.