SCHEMBL870975

SCHEMBL870975

C#CCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 10/20 1.00
ERBB2 P04626 10/20 1.00
HSP90AA1 P07900 8/20 1.00
HSP90B1 P14625 3/20 0.79
CDC37 Q16543 1/20 0.75

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
SCHEMBL1963758 0.90 HSP90AA1 (1.00) HSP90AB1ERBB2HSP90AA1HSP90B1
SCHEMBL5150302 0.90 ERBB2 (0.81) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL5039130 0.90 ERBB2 (0.81) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL1963694 0.90 ERBB2 (0.81) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL5039362 0.89 ERBB2 (0.80) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL5132864 0.89 ERBB2 (0.80) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL5035349 0.89 ERBB2 (0.80) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL5039997 0.89 HSP90AB1 (0.79) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL5038267 0.88 ERBB2 (0.83) HSP90AB1ERBB2HSP90AA1HSP90B1CDC37
SCHEMBL17900411 0.88 HSP90B1 (1.00) HSP90AB1ERBB2HSP90AA1HSP90B1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4397691-B2 2010-01-13 JP claimed
JP-2005511565-A 2005-04-28 JP claimed
EP-1440072-A4 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTIC CORP (US) 2005-02-02 EP claimed
EP-1440072-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY Conforma Therapeutic Corporation (US) 2004-07-28 EP claimed
WO-2003037860-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTICS CORPORATION (US) 2003-05-08 WO claimed
EP-2136799-B1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 UNIV STRASBOURG (FR) 2017-10-04 EP disclosed
EP-2254880-B1 Macrocyclic prodrug compounds useful as therapeutics NEXGENIX PHARMACEUTICALS (US) 2016-08-17 EP disclosed
US-20140135290-A1 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS ONCOSYNERGY, INC. (US) 2014-05-15 US disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US disclosed
US-8067412-B2 analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen UNIVERSITE DE STRASBOURG (FR) 2011-11-29 US disclosed
US-20110237560-A1 MODULATING AND/OR DETECTING ACTIVATION INDUCED DEAMINASE AND METHODS OF USE THEREOF ADAERATA, LIMITED PARTNERSHIP (CA) 2011-09-29 US disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 US disclosed
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-03-03 US disclosed
EP-1440072-A4 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTIC CORP (US) 2005-02-02 EP disclosed
EP-1440072-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY Conforma Therapeutic Corporation (US) 2004-07-28 EP disclosed
WO-2003037860-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTICS CORPORATION (US) 2003-05-08 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 (4 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885ERBB2 915/4885HSP90AA1 2/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885ERBB2 1609/4885HSP90AA1 2/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 HSP90AB1 2/4885ERBB2 3334/4885HSP90AA1 3/4885
US-20140135290-A1 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS ADCYAP1R1, CYP19A1, THOP1 HSP90AB1 3953/4885ERBB2 982/4885HSP90AA1 4055/4885

“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.