SCHEMBL4086070

SCHEMBL4086070

CSc1nc(N)nc(-c2ccccc2Cl)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 1.00
HSP90AB1 P08238 3/20 0.61
HRH4 Q9H3N8 1/20 0.52
MAPK1 P28482 1/20 0.50
HTR2B P41595 1/20 0.44
PDE4D Q08499 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GALR3 O60755 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42

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
SCHEMBL2490905 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1HRH4MAPK1HTR2B
SCHEMBL29808150 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1HRH4MAPK1HTR2B
SCHEMBL27907211 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1HRH4MAPK1HTR2B
SCHEMBL6314405 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1HTR2BPDE4DMEN1
SCHEMBL11194928 0.81 HSP90AA1 (0.68) HSP90AA1HSP90AB1HRH4MAPK1KDM4E
SCHEMBL6307067 0.81 HSP90AA1 (0.69) HSP90AA1HSP90AB1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL4036138 0.78 SMN1; SMN2 (0.65) HSP90AA1HSP90AB1HRH4MAPK1HTR2B
SCHEMBL4093530 0.76 HSP90AA1 (1.00) HSP90AA1HSP90AB1HRH4MEN1KMT2A
SCHEMBL4091505 0.76 HSP90AA1 (0.61) HSP90AA1HSP90AB1MAPK1HTR2BPDE4D
SCHEMBL1704219 0.74 KDM4E (0.69) HSP90AA1HSP90AB1MAPK1KDM4EALDH1A1

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 HSP90AA1 3/4885HSP90AB1 1/4885HRH4 3878/4885

“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.