SCHEMBL4092353

SCHEMBL4092353

COc1cc(C(=O)N2CCN(C)CC2)ccc1Sc1nc(N)nc(-c2cc(OCC#N)c(Cl)cc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.38
HSP90AB1 P08238 1/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
ADORA2A P29274 2/20 0.37
LRRK2 Q5S007 3/20 0.37
ALK Q9UM73 2/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36
PDE5A O76074 1/20 0.35
ADORA1 P30542 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL4094726 0.92 LRRK2 (0.41) HSP90AB1HPGDADORA2ALRRK2ALK
SCHEMBL13928062 0.91 HPGD (0.40) SRCHPGDUSP2ADORA2ALRRK2
SCHEMBL4091333 0.90 HPGD (0.42) SRCHSP90AB1HPGDUSP2ADORA2A
SCHEMBL4095634 0.86 PTK2 (0.42)
SCHEMBL14642199 0.82 LRRK2 (0.43) HPGDADORA2ALRRK2ALKADORA1
SCHEMBL15101684 0.82 LRRK2 (0.47) LRRK2ALK
SCHEMBL4095546 0.81 HSP90AB1 (0.38) HSP90AB1ADORA2ALRRK2KCNH2ADORA1
SCHEMBL4102760 0.81 HSP90AB1 (0.41) HSP90AB1ADORA2ASMN1; SMN2POLBADORA1
SCHEMBL15101685 0.80 HPGD (0.40) SRCHSP90AB1HPGDUSP2LRRK2
SCHEMBL4092867 0.80 PTK2 (0.40) HSP90AB1LRRK2

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 SRC 713/4885HSP90AB1 1/4885HPGD 796/4885

“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.