SCHEMBL4091773

SCHEMBL4091773

Nc1nc(SCc2ccccc2)nc(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
HTR2B P41595 1/20 0.44
PDE4D Q08499 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BACE1 P56817 1/20 0.43
CTSB P07858 2/20 0.43
TOP2A P11388 1/20 0.43
PAK4 O96013 1/20 0.43

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
SCHEMBL2847985 0.83 HSP90AA1 (0.50) HSP90AA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14642069 0.79 HSP90AA1 (0.46) HSP90AA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4092055 0.79 HSP90AA1 (0.46) HSP90AA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4093400 0.79 HSP90AA1 (0.46) HSP90AA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13928053 0.78 HSP90AA1 (0.56) HSP90AA1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6314405 0.77 HSP90AA1 (0.68) HSP90AA1NPC1RAB9AMEN1KMT2A
SCHEMBL4086244 0.76 TP53 (0.48) HSP90AA1NPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL4086112 0.76 HSP90AA1 (0.43) HSP90AA1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4086644 0.76 HSP90AA1 (0.49) HSP90AA1NPC1RAB9ASMN1; SMN2HTR2B
SCHEMBL9566485 0.76 HTR2B (0.72) HSP90AA1NPC1RAB9ASMN1; SMN2POLB

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 HSP90AA1 3/4885NPC1 436/4885RAB9A 2180/4885

“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.