SCHEMBL1964277

SCHEMBL1964277

CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 1.00
HSP90AB1 P08238 16/20 1.00
ERBB2 P04626 2/20 0.71
HSP90B1 P14625 3/20 0.65
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 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
SCHEMBL1966178 0.86 HSP90AA1 (0.75) HSP90AA1HSP90AB1ERBB2HSP90B1HDAC3
SCHEMBL1964645 0.83 ERBB2 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1966701 0.82 HSP90AB1 (0.75) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1963694 0.82 ERBB2 (0.81) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL27286422 0.82 HSP90AA1 (1.00) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL4900283 0.81 HSP90AA1 (0.77) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL24145061 0.81 HSP90AA1 (0.78) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL1962900 0.80 ERBB2 (0.94) HSP90AA1HSP90AB1ERBB2HSP90B1
SCHEMBL3130242 0.80 HSP90AB1 (0.67) HSP90AA1HSP90AB1ERBB2HSP90B1HDAC3
SCHEMBL27753548 0.79 HSP90AB1 (0.65) HSP90AA1HSP90AB1ERBB2HSP90B1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (3 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 HSP90AA1 3/4885HSP90AB1 2/4885ERBB2 3334/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ERBB2 1609/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885ERBB2 3334/4885

“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.