SCHEMBL25548705

SCHEMBL25548705

Nc1ccc(Cn2ncc3c(Cl)nc(N)nc32)c(F)c1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.79
HSP90AA1 P07900 6/20 0.79
HSP90AB1 P08238 1/20 0.79
HSP90B1 P14625 5/20 0.55
ADORA2A P29274 10/20 0.48
ADORA1 P30542 10/20 0.48
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2B P29275 1/20 0.45

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
SCHEMBL23416540 0.88 TRAP1 (0.76) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118754 0.88 TRAP1 (1.00) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL4452564 0.85 HSP90AA1 (0.71) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL29616933 0.84 TRAP1 (0.70) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL23388297 0.84 TRAP1 (0.70) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL29616980 0.84 TRAP1 (0.62) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL23388345 0.84 TRAP1 (0.62) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118687 0.83 HSP90AA1 (0.68) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118690 0.81 TRAP1 (0.65) TRAP1HSP90AA1HSP90AB1HSP90B1ADORA2A
SCHEMBL20118709 0.81 TRAP1 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-05-25 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 (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-20230159534-A1 ADENOSINE RECEPTOR ANTAGONIST COMPOUNDS ADORA2A, ADORA1, ADORA3 TRAP1 1393/4885HSP90AA1 2208/4885HSP90AB1 1972/4885

“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.