SCHEMBL4086685

SCHEMBL4086685

N#CCOc1cc(-c2nc(N)nc(Sc3ccccc3)n2)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.41
HSP90AA1 P07900 6/20 0.39
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
MAOB P27338 1/20 0.34
HTR2B P41595 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
ADORA3 P0DMS8 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
SCHEMBL4093890 0.88 HSP90AB1 (0.41) HSP90AB1HSP90AA1ALOX5APFEN1MAOB
SCHEMBL4086112 0.87 HSP90AA1 (0.43) HSP90AB1HSP90AA1ALOX5APFEN1ADORA2A
SCHEMBL4102760 0.86 HSP90AB1 (0.41) HSP90AB1HSP90AA1ALOX5APFEN1ADORA2A
SCHEMBL4092776 0.84 HSP90AB1 (0.36) HSP90AB1HSP90AA1
SCHEMBL4097995 0.84 HSP90AB1 (0.40) HSP90AB1HSP90AA1POLBEGFRADORA3
SCHEMBL4086696 0.81 HSP90AB1 (0.43) HSP90AB1
SCHEMBL4097120 0.81 HSP90AB1 (0.40) HSP90AB1HSP90AA1EGFRERBB2
SCHEMBL4086591 0.80 HSP90AB1 (0.45) HSP90AB1HSP90AA1POLB
SCHEMBL4091333 0.80 HPGD (0.42) HSP90AB1ADORA2AADORA1POLB
SCHEMBL4095546 0.80 HSP90AB1 (0.38) HSP90AB1ADORA2AADORA1

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 11 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
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

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 3/4885ALOX5AP 4320/4885

“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.