SCHEMBL3465233

SCHEMBL3465233

CSc1cc2c(cc1SCc1nc(C(N)=O)c(N)[nH]1)CCO2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4K2A Q9BTU6 1/20 0.32
PLAU P00749 1/20 0.31
MAP3K14 Q99558 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
DYRK1A Q13627 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
SCHEMBL3465166 0.71 HSP90AA1 (0.38) PI4K2APLAUMAP3K14HSP90AA1HSP90AB1
SCHEMBL3463800 0.62 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL9089860 0.61 ERN1 (0.39) DYRK1A
SCHEMBL3464730 0.59 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL24469692 0.58 HTR2A (0.39) DYRK1A
SCHEMBL3463711 0.58 PRKCI (0.35) HSP90AA1HSP90AB1DYRK1A
SCHEMBL25237748 0.56 RNASEH1 (0.55)
SCHEMBL29010833 0.55 PLA2G10 (0.39) PI4K2APLAUMAP3K14DYRK1A
SCHEMBL29010829 0.55 PLA2G10 (0.39) PI4K2APLAUMAP3K14DYRK1A
SCHEMBL10460145 0.55 GSK3B (0.49)

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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 PI4K2A 3844/4885PLAU 4872/4885MAP3K14 712/4885

“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.