SCHEMBL4093890

SCHEMBL4093890

N#CCOc1cc(-c2nc(N)nc(Sc3ncccn3)n2)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.41
POLB P06746 1/20 0.36
HSP90AA1 P07900 4/20 0.35
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HTR2B P41595 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4086685 0.88 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1ALOX5APFEN1
SCHEMBL13928104 0.86 HSP90AA1 (0.38) HSP90AB1HSP90AA1HTR2BPDE4DKDM4E
SCHEMBL4102760 0.83 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1ALOX5APFEN1
SCHEMBL9911695 0.82 HSP90AB1 (0.42) HSP90AB1POLBHSP90AA1ALOX5APFEN1
SCHEMBL4086112 0.81 HSP90AA1 (0.43) HSP90AB1POLBHSP90AA1ALOX5APFEN1
SCHEMBL4086591 0.81 HSP90AB1 (0.45) HSP90AB1POLBHSP90AA1DHFR
SCHEMBL4097995 0.81 HSP90AB1 (0.40) HSP90AB1POLBHSP90AA1ALDH1A1TP53
SCHEMBL4092776 0.81 HSP90AB1 (0.36) HSP90AB1HSP90AA1KDM4EALDH1A1NPC1
SCHEMBL4097465 0.80 HSP90AB1 (0.40) HSP90AB1POLBHSP90AA1ALOX5APFEN1
SCHEMBL4085614 0.80 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP claimed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP claimed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US claimed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP claimed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885POLB 2395/4885HSP90AA1 3/4885

“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.