SCHEMBL23629388

SCHEMBL23629388

Nc1nc(Cl)c2[nH]c(=O)n(CCCO)c2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 16/20 0.53
HSP90B1 P14625 12/20 0.53
HSP90AA1 P07900 6/20 0.51
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL8673254 0.96 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL872294 0.91 TRAP1 (0.55) TRAP1HSP90B1HSP90AA1HPGDADORA2A
SCHEMBL5173890 0.86 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1ALDH1A1ADORA2A
SCHEMBL23991311 0.84 ALDH1A1 (0.39) TRAP1HSP90B1HSP90AA1ALDH1A1HPGD
SCHEMBL23991310 0.84 TLR7 (0.46) TRAP1HSP90B1HSP90AA1ALDH1A1HPGD
SCHEMBL4551932 0.75 TRAP1 (0.54) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL23629397 0.71 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL29723515 0.70 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL23498154 0.70 TRAP1 (0.43) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL30012102 0.69 TRAP1 (0.69) TRAP1HSP90B1HSP90AA1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 US disclosed
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 US disclosed
US-20240208999-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-06-27 US disclosed
US-11932657-B2 Heterocyclic compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-03-19 US disclosed
US-20210340157-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-11-04 US disclosed
US-20210340157-A1 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-11-04 US disclosed
EP-3847176-A1 HETEROCYCLIC COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2021-07-14 EP disclosed
CN-112654627-A Heterocyclic compounds 大塚制药株式会社 2021-04-13 CN 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 (3 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-20210340157-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB TRAP1 1693/4885HSP90B1 1897/4885HSP90AA1 1394/4885
US-11932657-B2 Heterocyclic compound AHR, PDGFRA, PDGFRB TRAP1 1693/4885HSP90B1 1897/4885HSP90AA1 1394/4885
US-20240208999-A1 HETEROCYCLIC COMPOUND AHR, PDGFRA, PDGFRB TRAP1 1693/4885HSP90B1 1897/4885HSP90AA1 1394/4885

“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.