SCHEMBL4274877

SCHEMBL4274877

Cc1cnc(CN)c(C)c1I

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
AGXT P21549 1/20 0.37
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
AOC3 Q16853 1/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL14366752 0.80 AGXT (0.40) HSP90AA1HSP90AB1AGXTNOS3NOS1
SCHEMBL3394671 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1AGXTCCR1CCR5
SCHEMBL3394039 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1AGXTCCR1CCR5
SCHEMBL27661665 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1AGXT
SCHEMBL5606343 0.75 HSP90AA1 (0.43) HSP90AA1HSP90AB1AGXTNOS3NOS1
SCHEMBL15392290 0.75 HSP90AA1 (0.44) HSP90AA1HSP90AB1AGXTNOS3NOS1
SCHEMBL1056427 0.72 AGXT (0.69) HSP90AA1HSP90AB1AGXT
SCHEMBL4865054 0.71 LMNA (0.38) HSP90AA1HSP90AB1AGXTNOS3NOS1
Hydrochloric Acid SCHEMBL1061557 0.71 AGXT (0.67) HSP90AA1HSP90AB1AGXT
SCHEMBL14438203 0.70 CCR1 (0.36) HSP90AA1HSP90AB1NOS3NOS1NOS2

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 HSP90AA1 4/4885HSP90AB1 3/4885AGXT 3755/4885

“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.