SCHEMBL3949989

SCHEMBL3949989

COc1c(CC(C)(C)C)cccc1-c1cc(Cl)nc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.55
HSP90AB1 P08238 10/20 0.55
ADCY10 Q96PN6 9/20 0.44
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3952703 0.85 HSP90AA1 (0.52) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL3942360 0.79 HSP90AA1 (0.76) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL30401919 0.75 HSP90AA1 (0.58) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL20400253 0.75 HSP90AA1 (0.58) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL28043925 0.72 HSP90AA1 (0.63) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL3952031 0.72 HSP90AA1 (0.78) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL28043877 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL3718236 0.72 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL3951313 0.67 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADCY10KDM4E
SCHEMBL30588697 0.67 HSP90AA1 (0.59) HSP90AA1HSP90AB1ADCY10KDM4E

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 1/4885ADCY10 3897/4885

“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.