SCHEMBL4551932

SCHEMBL4551932

C=CCn1c(=O)[nH]c2c(Cl)nc(N)nc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 16/20 0.54
HSP90B1 P14625 12/20 0.54
HSP90AA1 P07900 6/20 0.52
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA2A P29274 1/20 0.39

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
SCHEMBL872294 0.78 TRAP1 (0.55) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL4551948 0.76 ADORA2B (0.46) TRAP1ADORA3ADORA2BADORA2A
SCHEMBL17773077 0.75 ALDH1A1 (0.38) TRAP1HSP90B1ADORA3ADORA2BADORA2A
SCHEMBL23629388 0.75 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL5173890 0.75 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL11215917 0.75 PDE4A (0.43) ADORA3ADORA2BADORA2A
SCHEMBL8673254 0.74 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL30012102 0.70 TRAP1 (0.69) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL23202316 0.70 TRAP1 (0.69) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL18039294 0.69 ADORA2B (0.40) ADORA3ADORA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012791-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS Conforma Therapeutics Corporation (US) 2009-01-14 EP disclosed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
WO-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 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 (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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 TRAP1 14/4885HSP90B1 1/4885HSP90AA1 4/4885

“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.