SCHEMBL4096516

SCHEMBL4096516

CN1CCN(C(=O)c2cc(-c3nc(N)nc(SCc4ccccc4)n3)c(Cl)cc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.43
ADORA2A P29274 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
HSP90AA1 P07900 1/20 0.41
ADORA1 P30542 1/20 0.40
PAK4 O96013 1/20 0.40
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4093130 0.89 HTT (0.50) LMNATSHRSMN1; SMN2HPGDHSP90AA1
SCHEMBL4092198 0.84 SLC6A12 (0.43) HPGDKMT2A
SCHEMBL13928102 0.83 HTT (0.48) LMNATSHRSMN1; SMN2HPGDHSP90AA1
SCHEMBL4093400 0.83 HSP90AA1 (0.46) ADORA2ATSHRSMN1; SMN2HSP90AA1ADORA1
SCHEMBL4086244 0.81 TP53 (0.48) ADORA2ALMNATP53TSHRSMN1; SMN2
SCHEMBL4085660 0.77 CA12 (0.49) LMNASMN1; SMN2HPGDHSP90AA1PAK4
SCHEMBL4098596 0.76 CXCR2 (0.41) SMN1; SMN2HSP90AA1NPC1RAB9A
SCHEMBL2847985 0.76 HSP90AA1 (0.50) ADORA2AALOX15TSHRSMN1; SMN2HSP90AA1
SCHEMBL4093480 0.74 NTRK1 (0.42) SMN1; SMN2HSP90AA1ADORA1NPC1RAB9A
SCHEMBL4091773 0.72 HSP90AA1 (0.52) ADORA2ASMN1; SMN2HSP90AA1ADORA1PAK4

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 11 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
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 HRH4 3878/4885ADORA2A 4662/4885LMNA 3916/4885

“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.