SCHEMBL4095546

SCHEMBL4095546

N#CCOc1cc(-c2nc(N)nc(Sc3ccc(C(=O)N4CCNCC4)cc3)n2)c(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
SUV39H2 Q9H5I1 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CCNC P24863 5/20 0.35
CDK8 P49336 5/20 0.35
LRRK2 Q5S007 1/20 0.34
KCNH2 Q12809 3/20 0.34
RIPK1 Q13546 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATR Q13535 1/20 0.32
CYP3A4 P08684 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL4091333 0.90 HPGD (0.42) HSP90AB1ADORA2AADORA1LRRK2KCNH2
SCHEMBL4094726 0.89 LRRK2 (0.41) HSP90AB1PARP1PARP2SUV39H2ADORA2A
SCHEMBL4092353 0.81 SRC (0.38) HSP90AB1ADORA2AADORA1LRRK2KCNH2
SCHEMBL15101685 0.80 HPGD (0.40) HSP90AB1LRRK2
SCHEMBL4086685 0.80 HSP90AB1 (0.41) HSP90AB1ADORA2AADORA1
SCHEMBL14642199 0.79 LRRK2 (0.43) PARP1PARP2SUV39H2ADORA2AADORA1
SCHEMBL15101684 0.79 LRRK2 (0.47) SUV39H2LRRK2MKNK2
SCHEMBL4086696 0.79 HSP90AB1 (0.43) HSP90AB1
SCHEMBL4093474 0.77 HSP90AB1 (0.43) HSP90AB1SUV39H2ADORA1KDM4E
SCHEMBL4092867 0.75 PTK2 (0.40) HSP90AB1SUV39H2LRRK2

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-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 1/4885PARP1 2753/4885PARP2 2508/4885

“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.