SCHEMBL4086671

SCHEMBL4086671

COc1ccc(OC)c(Sc2cc(-c3ccc(OCC#N)cc3C)nc(N)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.39
MAOB P27338 1/20 0.38
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
LRRK2 Q5S007 3/20 0.37
TYMS P04818 2/20 0.37
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
CHRNA7 P36544 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PIM1 P11309 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
SCHEMBL4093637 0.91 MAOB (0.48) DHFRMAOBHSP90AA1HSP90AB1LRRK2
SCHEMBL14642116 0.88 DHFR (0.42) DHFRHSP90AA1HSP90AB1LRRK2TYMS
SCHEMBL4086287 0.86 DHFR (0.40) DHFRHSP90AA1HSP90AB1LRRK2TYMS
SCHEMBL4094840 0.85 DHFR (0.39) DHFRHSP90AA1HSP90AB1LRRK2TYMS
SCHEMBL4095647 0.84 MEN1 (0.39) DHFRLRRK2TYMSEGFRKDR
SCHEMBL4102784 0.83 HSP90AB1 (0.45) DHFRMAOBHSP90AA1HSP90AB1LRRK2
SCHEMBL4093475 0.82 NPC1 (0.43) DHFRHSP90AA1HSP90AB1LRRK2TYMS
SCHEMBL4093485 0.82 DHFR (0.46) DHFRHSP90AA1HSP90AB1LRRK2TYMS
SCHEMBL4093607 0.78 DHFR (0.42) DHFRHSP90AA1HSP90AB1LRRK2TYMS
SCHEMBL15101660 0.77 TSHR (0.42) ADORA2AADORA1

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 15 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-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
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 DHFR 1834/4885MAOB 4268/4885HSP90AA1 3/4885

“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.