SCHEMBL4091003

SCHEMBL4091003

COC(=O)c1cc(-c2nc(N)nc(Sc3ccccc3OC)n2)c(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
DHFR P00374 4/20 0.41
HSP90AA1 P07900 2/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
AURKA O14965 1/20 0.37
GSK3B P49841 1/20 0.37
AURKB Q96GD4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 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
SCHEMBL4085571 0.88 NPC1 (0.42) KDM4EALDH1A1MAPTDHFREGFR
SCHEMBL4091801 0.80 TP53 (0.52) ALDH1A1PKMHSP90AA1ADORA2AADORA1
SCHEMBL4102719 0.77 TP53 (0.40) KDM4EALDH1A1MAPTHSP90AA1SMN1; SMN2
SCHEMBL4092255 0.75 CA2 (0.40) KDM4EALDH1A1MAPTHSP90AA1SMN1; SMN2
SCHEMBL4086376 0.73 TP53 (0.37) KDM4EALDH1A1MAPTHSP90AA1L3MBTL1
SCHEMBL4097216 0.73 DPP4 (0.48) ALDH1A1DHFRHSP90AA1EGFRPDGFRB
SCHEMBL15101659 0.68 HSP90AA1 (0.37) ALDH1A1PKMDHFRHSP90AA1EGFR
SCHEMBL10507547 0.68 HSD17B10 (0.54) KDM4EALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL21635978 0.67 KDM4E (0.52) KDM4EALDH1A1MAPTHSP90AA1SMN1; SMN2
SCHEMBL4102760 0.67 HSP90AB1 (0.41) MAPTDHFRHSP90AA1EGFRPDGFRB

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 KDM4E 3822/4885ALDH1A1 1619/4885MAPT 868/4885

“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.