SCHEMBL4091813

SCHEMBL4091813

N#CCOc1cc(-c2nc(N)nc(SCCC(=O)NCc3ccncc3)n2)c(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HSP90AB1 P08238 1/20 0.42
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.39
HSP90AA1 P07900 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CSF1R P07333 1/20 0.36
AKT1 P31749 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK2A1 P68400 1/20 0.36
NTRK2 Q16620 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
PLK3 Q9H4B4 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
SCHEMBL4090304 0.89 LMNA (0.43) ALDH1A1HSP90AB1LMNAHPGDMAPK1
SCHEMBL4086622 0.87 HSP90AA1 (0.48) HSP90AB1MAPK1KDM4EHSP90AA1L3MBTL1
SCHEMBL4091826 0.86 HSP90AA1 (0.46) ALDH1A1HSP90AB1KDM4EHSP90AA1HTT
SCHEMBL4103928 0.85 HSP90AB1 (0.40) HSP90AB1LMNAHPGDMAPK1HSP90AA1
SCHEMBL4096191 0.84 HSP90AB1 (0.43) ALDH1A1HSP90AB1HPGDHSP90AA1SMN1; SMN2
SCHEMBL4085460 0.84 HSP90AB1 (0.44) HSP90AB1HPGDMAPK1HSP90AA1HTT
SCHEMBL4096157 0.83 HSP90AB1 (0.46) HSP90AB1LMNAHPGDMAPK1HSP90AA1
SCHEMBL4090231 0.83 HSP90AB1 (0.41) HSP90AB1KDM4EHSP90AA1
SCHEMBL4085453 0.82 HSP90AB1 (0.41) ALDH1A1HSP90AB1LMNAHPGDMAPK1
SCHEMBL4094051 0.81 HSP90AB1 (0.47) HSP90AB1HSP90AA1CYP2C19RAB9AHTT

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-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 ATM 1165/4885ALDH1A1 1619/4885HSP90AB1 1/4885

“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.