SCHEMBL1963368

SCHEMBL1963368

C#CCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)nc(F)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 8/20 1.00
HSP90AA1 P07900 13/20 0.76
HSP90AB1 P08238 10/20 0.76
CDC37 Q16543 3/20 0.68
HSP90B1 P14625 2/20 0.59

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
SCHEMBL5038267 0.91 ERBB2 (0.83) ERBB2HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL1962954 0.90 ERBB2 (0.82) ERBB2HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL1966947 0.90 ERBB2 (0.82) ERBB2HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL870975 0.86 HSP90AB1 (1.00) ERBB2HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL14446343 0.85 ERBB2 (0.75) ERBB2HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL1964467 0.83 ERBB2 (0.77) ERBB2HSP90AA1HSP90AB1CDC37
SCHEMBL1963264 0.83 HSP90AA1 (0.82) ERBB2HSP90AA1HSP90AB1CDC37
SCHEMBL4130050 0.81 HSP90AA1 (1.00) ERBB2HSP90AA1HSP90AB1CDC37
SCHEMBL14466189 0.80 HSP90AA1 (0.68) ERBB2HSP90AA1HSP90AB1CDC37HSP90B1
SCHEMBL14213883 0.78 HSP90AA1 (1.00) ERBB2HSP90AA1HSP90AB1HSP90B1

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 12 patents. 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-2336133-A1 Purine analogs having HSP90-inhibiting activity Conforma Therapeutics Corporation (US) 2011-06-22 EP disclosed
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 EP disclosed
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2008-05-29 US disclosed
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2008-05-29 US disclosed
US-7241890-B2 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-10 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

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-20080125446-A1 Purine analogs having HSP90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 ERBB2 3334/4885HSP90AA1 3/4885HSP90AB1 2/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P ERBB2 1609/4885HSP90AA1 2/4885HSP90AB1 1/4885

“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.