SCHEMBL4086244

SCHEMBL4086244

COC(=O)c1cc(-c2nc(N)nc(SCc3ccccc3)n2)c(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
HSP90AA1 P07900 3/20 0.46
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
METAP2 P50579 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CNR1 P21554 1/20 0.40
MAPK10 P53779 1/20 0.39
ADCY10 Q96PN6 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.38
USP2 O75604 2/20 0.38

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
SCHEMBL4093400 0.88 HSP90AA1 (0.46) HSP90AA1ALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL4091801 0.85 TP53 (0.52) TP53HSP90AA1PKML3MBTL1ALDH1A1
SCHEMBL4085660 0.83 CA12 (0.49) HSP90AA1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL4098596 0.83 CXCR2 (0.41) HSP90AA1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL4096516 0.81 HRH4 (0.43) TP53HSP90AA1L3MBTL1SMN1; SMN2NPC1
SCHEMBL2847985 0.81 HSP90AA1 (0.50) HSP90AA1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL4093480 0.81 NTRK1 (0.42) HSP90AA1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL4092198 0.80 SLC6A12 (0.43) ALDH1A1HPGD
SCHEMBL4093130 0.79 HTT (0.50) HSP90AA1PKMALDH1A1SMN1; SMN2TSHR
SCHEMBL4092055 0.77 HSP90AA1 (0.46) HSP90AA1L3MBTL1SMN1; SMN2NPC1RAB9A

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 9 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 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 TP53 131/4885HSP90AA1 3/4885PKM 2595/4885

“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.