SCHEMBL4096792

SCHEMBL4096792

COc1cc(C(=O)NCC(O)CO)ccc1Sc1nc(N)nc(-c2cc(OCC#N)c(Cl)cc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.42
HRH1 P35367 1/20 0.36
CCR3 P51677 1/20 0.36
KCNH2 Q12809 1/20 0.36
ROCK2 O75116 7/20 0.35
ROCK1 Q13464 6/20 0.35
SUV39H2 Q9H5I1 2/20 0.35
ADORA1 P30542 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2B6 P20813 1/20 0.32
LMNA P02545 1/20 0.32
SMPD1 P17405 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CTSC P53634 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL13927513 0.91 SUV39H2 (0.38) HSP90AB1HRH1CCR3KCNH2ROCK2
SCHEMBL4093474 0.90 HSP90AB1 (0.43) HSP90AB1SUV39H2ADORA1KDM4E
SCHEMBL4092867 0.81 PTK2 (0.40) HSP90AB1SUV39H2LRRK2
SCHEMBL13928052 0.80 SUV39H2 (0.36) HSP90AB1SUV39H2ADORA1KDM4E
SCHEMBL4092353 0.79 SRC (0.38) HSP90AB1KCNH2ADORA1LRRK2
SCHEMBL4102760 0.79 HSP90AB1 (0.41) HSP90AB1ADORA1LMNA
SCHEMBL4094726 0.79 LRRK2 (0.41) HSP90AB1SUV39H2ADORA1LRRK2
SCHEMBL4086696 0.78 HSP90AB1 (0.43) HSP90AB1ROCK2ROCK1
SCHEMBL4097120 0.76 HSP90AB1 (0.40) HSP90AB1LMNA
SCHEMBL15101662 0.74 KDM4E (0.36) SUV39H2ADORA1KDM4ELMNA

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 13 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

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 1/4885HRH1 2321/4885CCR3 4736/4885

“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.