SCHEMBL4086591

SCHEMBL4086591

Cc1nnc(Sc2nc(N)nc(-c3cc(OCC#N)c(Cl)cc3Cl)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 8/20 0.45
POLB P06746 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.33
HSP90AA1 P07900 4/20 0.32
KDM1A O60341 1/20 0.32
DHFR P00374 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL4093890 0.81 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1DHFR
SCHEMBL4097995 0.81 HSP90AB1 (0.40) HSP90AB1POLBHSP90AA1L3MBTL1CYP2C19
SCHEMBL4086685 0.80 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1
SCHEMBL4369252 0.79 HSP90AA1 (0.36) HSP90AA1L3MBTL1CYP2C19
SCHEMBL4102760 0.77 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1DHFRL3MBTL1
SCHEMBL4097120 0.76 HSP90AB1 (0.40) HSP90AB1HSP90AA1DHFRKDR
SCHEMBL4097465 0.75 HSP90AB1 (0.40) HSP90AB1POLBHSP90AA1
SCHEMBL4085614 0.75 HSP90AB1 (0.41) HSP90AB1POLBHSP90AA1DHFR
SCHEMBL4086112 0.74 HSP90AA1 (0.43) HSP90AB1POLBHSP90AA1L3MBTL1CYP2C19
SCHEMBL4093798 0.74 HSP90AB1 (0.47) HSP90AB1POLBHSP90AA1CYP2C19

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 12 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-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 1/4885POLB 2395/4885DCUN1D1 2168/4885

“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.