SCHEMBL4094051

SCHEMBL4094051

CC(=O)NCCSc1nc(N)nc(-c2cc(OCC#N)c(Cl)cc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 10/20 0.47
HSP90AA1 P07900 8/20 0.46
POLB P06746 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4096157 0.86 HSP90AB1 (0.46) HSP90AB1HSP90AA1POLBKCNH2ALOX15
SCHEMBL4091826 0.85 HSP90AA1 (0.46) HSP90AB1HSP90AA1POLBKCNH2ALOX15
SCHEMBL4086622 0.85 HSP90AA1 (0.48) HSP90AB1HSP90AA1KCNH2
SCHEMBL4085460 0.85 HSP90AB1 (0.44) HSP90AB1HSP90AA1POLBKCNH2ALOX15
SCHEMBL4096191 0.84 HSP90AB1 (0.43) HSP90AB1HSP90AA1KCNH2CYP2C19
SCHEMBL4093798 0.83 HSP90AB1 (0.47) HSP90AB1HSP90AA1POLBKCNH2CYP2C19
SCHEMBL4085614 0.83 HSP90AB1 (0.41) HSP90AB1HSP90AA1POLBKCNH2
SCHEMBL4086040 0.82 HSP90AA1 (0.53) HSP90AA1CYP2C19RAB9A
SCHEMBL4090231 0.81 HSP90AB1 (0.41) HSP90AB1HSP90AA1KCNH2
SCHEMBL4091813 0.81 ATM (0.43) HSP90AB1HSP90AA1CYP2C19RAB9AHTT

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 14 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-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-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US 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
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 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
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 1/4885HSP90AA1 3/4885POLB 2395/4885

“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.