SCHEMBL2077946

SCHEMBL2077946

COc1cc(CN(C)C(=O)c2cc(-c3ccnn3-c3ccccc3C)c(O)cc2O)ccc1OC(F)F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.61
HSP90AB1 P08238 8/20 0.49
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2080017 0.93 HSP90AA1 (0.67) HSP90AA1HSP90AB1POLB
SCHEMBL2080025 0.89 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL2080789 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1HTT
SCHEMBL2077784 0.86 HSP90AA1 (0.67) HSP90AA1HSP90AB1
SCHEMBL1218650 0.84 HSP90AA1 (0.66) HSP90AA1HSP90AB1
SCHEMBL2080759 0.84 HSP90AA1 (0.68) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL2079326 0.83 HSP90AA1 (0.67) HSP90AA1HSP90AB1POLB
SCHEMBL2079305 0.83 HSP90AA1 (0.67) HSP90AA1HSP90AB1RAB9A
SCHEMBL2079367 0.83 HSP90AA1 (0.69) HSP90AA1HSP90AB1TDP1
SCHEMBL2080510 0.83 HSP90AA1 (0.71) HSP90AA1HSP90AB1

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 4 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

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-20090325974-A1 1,5-DIPHENYLPYRAZOLES II AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885POLB 3152/4885

“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.