SCHEMBL3951297

SCHEMBL3951297

CCOC(=O)COc1cccc(OC)c1-c1cc(Cl)nc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.66
HSP90AB1 P08238 5/20 0.66
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PDE10A Q9Y233 3/20 0.42
ADCY10 Q96PN6 1/20 0.42
CHRNA7 P36544 1/20 0.42
GAA P10253 1/20 0.42
F9 P00740 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL3951313 0.81 HSP90AA1 (1.00) HSP90AA1HSP90AB1ALDH1A1ADCY10CHRNA7
SCHEMBL3944544 0.78 HSP90AA1 (0.76) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL3946991 0.77 HSP90AA1 (0.74) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL3951528 0.76 TSHR (0.61) HSP90AA1HSP90AB1L3MBTL1ALDH1A1GAA
SCHEMBL3943592 0.75 HSP90AA1 (0.81) HSP90AA1HSP90AB1ALDH1A1ADCY10CHRNA7
SCHEMBL3940837 0.75 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL4213378 0.75 HSP90AA1 (0.70) HSP90AA1HSP90AB1PDE10AADCY10CHRNA7
SCHEMBL4211927 0.74 HSP90AA1 (0.73) HSP90AA1HSP90AB1L3MBTL1ALDH1A1ADCY10
SCHEMBL3942102 0.74 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1GAA
SCHEMBL3944850 0.73 HSP90AA1 (0.81) HSP90AA1HSP90AB1ADCY10CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
US-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors ASTEX THERAPEUTICS LTD. (GB) 2009-08-27 US disclosed
EP-2049497-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS Astex Therapeutics Limited (GB) 2009-04-22 EP disclosed
WO-2006123165-A2 PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-11-23 WO 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-20090215777-A1 Pyrimidine Derivatives As HSP90 Inhibitors HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885L3MBTL1 3095/4885

“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.