SCHEMBL5521691

SCHEMBL5521691

CCCCn1c(Cc2cc(OC)ccc2Cl)nc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 6/20 1.00
HSP90AA1 P07900 13/20 0.80
HSP90AB1 P08238 13/20 0.80
HSP90B1 P14625 2/20 0.53
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50

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
SCHEMBL30583202 0.89 HSP90AA1 (1.00) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL1964201 0.89 HSP90AA1 (1.00) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL1965706 0.88 ERBB2 (1.00) ERBB2HSP90AA1HSP90AB1ADORA2AADORA2B
SCHEMBL1963379 0.88 ERBB2 (1.00) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL1964339 0.85 HSP90AA1 (0.76) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL4320278 0.84 HSP90AA1 (0.77) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL30583297 0.84 HSP90AA1 (0.77) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL14494933 0.83 HSP90AA1 (0.72) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL1965080 0.83 HSP90AA1 (0.72) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL1963233 0.83 HSP90AA1 (0.78) ERBB2HSP90AA1HSP90AB1HSP90B1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.