SCHEMBL1219220

SCHEMBL1219220

CN(C(=O)c1ccncc1)C(=O)c1cc(-c2ccnn2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.53
PDE11A Q9HCR9 1/20 0.40
NR3C2 P08235 1/20 0.40
PDK1 Q15118 7/20 0.39
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AB1 P08238 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL1219943 0.90 HSP90AA1 (0.51) HSP90AA1PDE11ANR3C2PDK1KDM4E
SCHEMBL1219022 0.89 HSP90AA1 (0.66) HSP90AA1NR3C2KDM4EKMT2AHSP90AB1
SCHEMBL1219500 0.88 HSP90AA1 (0.54) HSP90AA1PDE11ANR3C2KDM4EKMT2A
SCHEMBL1629132 0.87 HSP90AA1 (0.56) HSP90AA1PDE11ANR3C2PDK1HSP90AB1
SCHEMBL1219228 0.85 HSP90AA1 (0.53) HSP90AA1PDE11ANR3C2PDK1MAPK14
SCHEMBL1219192 0.85 HSP90AA1 (0.60) HSP90AA1PDK1HSP90AB1
SCHEMBL1630247 0.84 HSP90AA1 (0.56) HSP90AA1PDE11ANR3C2HSP90AB1
SCHEMBL1628864 0.83 HSP90AA1 (0.69) HSP90AA1PDE11ANR3C2HSP90AB1
SCHEMBL1216234 0.82 HSP90AA1 (0.45) HSP90AA1PDE11ANR3C2PDK1KDM4E
SCHEMBL2076846 0.80 HSP90AA1 (0.61) HSP90AA1PDE11ANR3C2KMT2AHSP90AB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018370-B1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GMBH (DE) 2013-03-27 EP claimed
US-7906657-B2 1,5-diphenylpyrazoles II as HSP90 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-03-15 US claimed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US claimed
EP-2018370-B1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GMBH (DE) 2013-03-27 EP disclosed
US-7906657-B2 1,5-diphenylpyrazoles II as HSP90 inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2011-03-15 US disclosed
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS EGGENWEILER HANS-MICHAEL 2011-02-03 US disclosed
US-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS MERCK PATENT GESELLSCHAFT (DE) 2009-12-31 US 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 (2 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-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885PDE11A 4570/4885NR3C2 570/4885
US-20110028485-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885PDE11A 4570/4885NR3C2 570/4885

“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.