SCHEMBL4091333

SCHEMBL4091333

CN1CCN(C(=O)c2ccc(Sc3nc(N)nc(-c4cc(OCC#N)c(Cl)cc4Cl)n3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
HSP90AB1 P08238 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
ADORA2A P29274 3/20 0.38
POLB P06746 2/20 0.37
SRC P12931 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
KCNH2 Q12809 1/20 0.36
ADORA1 P30542 2/20 0.35
ALPL P05186 1/20 0.35
AR P10275 3/20 0.35
LRRK2 Q5S007 1/20 0.35
KMT2A Q03164 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
SCHEMBL4095546 0.90 HSP90AB1 (0.38) HSP90AB1ADORA2AKCNH2ADORA1LRRK2
SCHEMBL4092353 0.90 SRC (0.38) HPGDUSP2HSP90AB1SMN1; SMN2ADORA2A
SCHEMBL15101685 0.90 HPGD (0.40) HPGDUSP2HSP90AB1SMN1; SMN2LMNA
SCHEMBL4094726 0.82 LRRK2 (0.41) HPGDHSP90AB1ADORA2AADORA1LRRK2
SCHEMBL13928062 0.80 HPGD (0.40) HPGDUSP2SMN1; SMN2ADORA2APOLB
SCHEMBL14642115 0.80 HPGD (0.42) HPGDUSP2SMN1; SMN2LMNAPOLB
SCHEMBL4086685 0.80 HSP90AB1 (0.41) HSP90AB1ADORA2APOLBADORA1
SCHEMBL4086696 0.79 HSP90AB1 (0.43) HSP90AB1
SCHEMBL4095634 0.78 PTK2 (0.42)
SCHEMBL4093474 0.77 HSP90AB1 (0.43) HPGDHSP90AB1ALDH1A1ADORA1

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 HPGD 796/4885USP2 1046/4885HSP90AB1 1/4885

“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.