SCHEMBL4086696

SCHEMBL4086696

N#CCOc1cc(-c2nc(N)nc(Sc3ccc(C(=O)NC(CO)CO)cc3)n2)c(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SLC40A1 Q9NP59 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
IRAK1 P51617 1/20 0.32
PRKX P51817 1/20 0.32
LIMK1 P53667 1/20 0.32
PRKG2 Q13237 1/20 0.32
ROCK1 Q13464 1/20 0.32
PRKG1 Q13976 1/20 0.32
PKN2 Q16513 1/20 0.32
HIPK4 Q8NE63 1/20 0.32
AURKB Q96GD4 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
MAP4K4 O95819 1/20 0.31
MINK1 Q8N4C8 1/20 0.31

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
SCHEMBL14642295 0.90 TAS1R3 (0.37) HSP90AB1TAS1R3TAS1R1SLC40A1ROCK2
SCHEMBL4093474 0.88 HSP90AB1 (0.43) HSP90AB1NAMPT
SCHEMBL4086685 0.81 HSP90AB1 (0.41) HSP90AB1
SCHEMBL4095546 0.79 HSP90AB1 (0.38) HSP90AB1
SCHEMBL4091333 0.79 HPGD (0.42) HSP90AB1
SCHEMBL4096792 0.78 HSP90AB1 (0.42) HSP90AB1ROCK2ROCK1
SCHEMBL13928052 0.77 SUV39H2 (0.36) HSP90AB1NAMPT
SCHEMBL4093890 0.76 HSP90AB1 (0.41) HSP90AB1DHFR
SCHEMBL4102760 0.74 HSP90AB1 (0.41) HSP90AB1DHFR
SCHEMBL4093798 0.74 HSP90AB1 (0.47) HSP90AB1

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 HSP90AB1 1/4885TAS1R3 3999/4885TAS1R1 3643/4885

“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.