SCHEMBL3394461

SCHEMBL3394461

Nc1nc(Cl)c2cnn(Cc3ccc(Cl)c(Cl)c3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 7/20 0.67
HSP90AA1 P07900 4/20 0.67
HSP90AB1 P08238 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
HSP90B1 P14625 4/20 0.53
ADORA2A P29274 12/20 0.48
ADORA1 P30542 10/20 0.48
HDAC1 Q13547 2/20 0.43

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
SCHEMBL20118740 0.89 TRAP1 (0.64) TRAP1HSP90AA1HSP90AB1TDP1HSP90B1
SCHEMBL25546964 0.86 HSP90AA1 (0.66) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118702 0.85 TRAP1 (0.65) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118840 0.84 HSP90AA1 (0.63) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118865 0.84 HSP90AA1 (0.68) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL25548643 0.84 HSP90AA1 (0.64) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118691 0.83 HSP90AA1 (0.62) TRAP1HSP90AA1HSP90AB1TDP1HSP90B1
SCHEMBL20118871 0.81 TRAP1 (1.00) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118614 0.81 HSP90AA1 (0.60) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118836 0.81 HSP90AA1 (0.60) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018079988-A1 COMPOUND USEFUL AS TRAP1 INHIBITOR, AND ANTICANCER COMPOSITION CONTAINING SAME 울산과학기술원 2018-05-03 WO disclosed
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7148228-B2 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-12-12 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-06-02 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-20050119282-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 TRAP1 9/4885HSP90AA1 3/4885HSP90AB1 2/4885
US-20070111996-A1 Pyrazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 TRAP1 9/4885HSP90AA1 3/4885HSP90AB1 2/4885

“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.