SCHEMBL4093474

SCHEMBL4093474

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.43
PRF1 P14222 1/20 0.35
ADORA1 P30542 1/20 0.34
SUV39H2 Q9H5I1 2/20 0.33
LOX P28300 2/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
MAPK14 Q16539 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NAMPT P43490 1/20 0.31
RORC P51449 1/20 0.31
NTRK1 P04629 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
SCHEMBL13928052 0.90 SUV39H2 (0.36) HSP90AB1PRF1ADORA1SUV39H2LOX
SCHEMBL4096792 0.90 HSP90AB1 (0.42) HSP90AB1ADORA1SUV39H2KDM4E
SCHEMBL4086696 0.88 HSP90AB1 (0.43) HSP90AB1NAMPT
SCHEMBL15101662 0.84 KDM4E (0.36) PRF1ADORA1SUV39H2LOXLOXL2
SCHEMBL13927513 0.80 SUV39H2 (0.38) HSP90AB1SUV39H2KDM4E
SCHEMBL4086685 0.79 HSP90AB1 (0.41) HSP90AB1ADORA1
SCHEMBL14642295 0.77 TAS1R3 (0.37) HSP90AB1NAMPT
SCHEMBL4091333 0.77 HPGD (0.42) HSP90AB1ADORA1ALDH1A1HPGD
SCHEMBL4095546 0.77 HSP90AB1 (0.38) HSP90AB1ADORA1SUV39H2KDM4E
SCHEMBL4093890 0.74 HSP90AB1 (0.41) HSP90AB1KDM4EALDH1A1

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 1/4885PRF1 2807/4885ADORA1 4666/4885

“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.