SCHEMBL3394039

SCHEMBL3394039

Cc1cnc(CBr)c(C)c1I

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
AGXT P21549 1/20 0.33
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 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
SCHEMBL27661665 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1AGXT
SCHEMBL3396036 0.80 CCR1 (0.38) HSP90AA1HSP90AB1AGXTCCR1CCR5
SCHEMBL3394671 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1AGXTCCR1CCR5
SCHEMBL4274877 0.79 HSP90AA1 (0.43) HSP90AA1HSP90AB1AGXTCCR1CCR5
SCHEMBL6026770 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1AGXTCCR1CCR5
SCHEMBL3390527 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1AGXTCCR1CCR5
SCHEMBL3393888 0.72 HSP90AA1 (0.42) HSP90AA1HSP90AB1AGXT
SCHEMBL27957294 0.72 AGXT (0.64) HSP90AA1HSP90AB1AGXT
Hydrochloric Acid SCHEMBL28313021 0.71 AGXT (0.62) HSP90AA1HSP90AB1AGXT
SCHEMBL14438203 0.70 CCR1 (0.36) HSP90AA1HSP90AB1CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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 (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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 1906/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885AGXT 1906/4885

“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.