SCHEMBL4091505

SCHEMBL4091505

CSc1nc(N)nc(-c2cc(-c3ncccn3)c(Cl)cc2Cl)n1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.61
HSP90AB1 P08238 2/20 0.48
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
HTR2B P41595 1/20 0.40
PDE4D Q08499 1/20 0.40
MAPK1 P28482 1/20 0.36
PIK3CA P42336 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MTOR P42345 1/20 0.33
LMNA P02545 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL17349616 0.79 HSP90AA1 (0.56) HSP90AA1HSP90AB1ADORA2AADORA1HTR2B
SCHEMBL6314405 0.77 HSP90AA1 (0.68) HSP90AA1HSP90AB1ADORA2AADORA1HTR2B
SCHEMBL4086070 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADORA2AADORA1HTR2B
SCHEMBL4086040 0.76 HSP90AA1 (0.53) HSP90AA1ADORA2AADORA1L3MBTL1LMNA
SCHEMBL17349615 0.74 HSP90AA1 (0.47) HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL1704219 0.73 KDM4E (0.69) HSP90AA1HSP90AB1ADORA2AADORA1MAPK1
SCHEMBL4098508 0.70 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL13928104 0.70 HSP90AA1 (0.38) HSP90AA1HSP90AB1HTR2BPDE4DPIK3CA
SCHEMBL4093890 0.67 HSP90AB1 (0.41) HSP90AA1HSP90AB1HTR2BPDE4DPIK3CA
SCHEMBL13928018 0.67 HSP90AA1 (0.42) HSP90AA1HSP90AB1ADORA2AADORA1

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 15 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
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 HSP90AA1 3/4885HSP90AB1 1/4885ADORA2A 4662/4885

“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.