SCHEMBL3395517

SCHEMBL3395517

COc1cc(Cn2nnc3c(Cl)nc(N)nc32)c(Cl)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.50
HSP90AA1 P07900 7/20 0.50
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
ADORA1 P30542 3/20 0.45
PDE8B O95263 2/20 0.41
TRAP1 Q12931 2/20 0.39
HSP90B1 P14625 1/20 0.39
LMNA P02545 2/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3393789 0.89 HSP90AB1 (0.50) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL3394682 0.89 HSP90AA1 (0.50) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL3392701 0.87 HSP90AB1 (0.67) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL3392377 0.84 HSP90AB1 (0.68) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL3391863 0.84 HSP90AB1 (0.45) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL14568317 0.83 HSP90AB1 (0.57) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL3395669 0.82 ADORA3 (0.52) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL3391717 0.80 HSP90AA1 (0.49) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL14506511 0.79 HSP90AA1 (0.47) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B
SCHEMBL3392762 0.79 PDE8B (0.63) HSP90AB1HSP90AA1ADORA3ADORA2AADORA2B

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-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7129244-B2 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-31 US disclosed
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-26 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 (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-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885ADORA3 4757/4885
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885ADORA3 4757/4885

“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.