SCHEMBL4093480

SCHEMBL4093480

Nc1nc(SCc2ccccc2)nc(-c2cc(C(=O)NCC(O)CO)c(Cl)cc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.42
ADORA1 P30542 1/20 0.40
CXCR2 P25025 4/20 0.39
HSP90AA1 P07900 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA13 Q8N1Q1 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4085660 0.87 CA12 (0.49) NTRK1CXCR2HSP90AA1CA1CA2
SCHEMBL4098596 0.86 CXCR2 (0.41) NTRK1CXCR2HSP90AA1CA1CA2
SCHEMBL4093400 0.82 HSP90AA1 (0.46) ADORA1HSP90AA1CA1CA2CA12
SCHEMBL4086244 0.81 TP53 (0.48) ADORA1HSP90AA1RXFP1NPC1RAB9A
SCHEMBL4092198 0.76 SLC6A12 (0.43) NTRK1CA1CA2CA12CA4
SCHEMBL2847985 0.76 HSP90AA1 (0.50) ADORA1CXCR2HSP90AA1NPC1RAB9A
SCHEMBL4096516 0.74 HRH4 (0.43) ADORA1HSP90AA1NPC1RAB9ASMN1; SMN2
SCHEMBL4093130 0.74 HTT (0.50) HSP90AA1CA1CA2CA12CA3
SCHEMBL15101662 0.74 KDM4E (0.36) NTRK1ADORA1HSP90AA1CA2NPC1
SCHEMBL4091773 0.71 HSP90AA1 (0.52) ADORA1HSP90AA1NPC1RAB9ASMN1; SMN2

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-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
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 NTRK1 4728/4885ADORA1 4666/4885CXCR2 3155/4885

“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.