SCHEMBL3944544

SCHEMBL3944544

COc1cccc(OCC(C)C)c1-c1cc(Cl)nc(N)n1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.76
HSP90AB1 P08238 9/20 0.76
CHRNA7 P36544 2/20 0.47
ADCY10 Q96PN6 2/20 0.47
KDM4E B2RXH2 1/20 0.40
TLR8 Q9NR97 1/20 0.40
XDH P47989 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
SCHEMBL3951313 0.87 HSP90AA1 (1.00) HSP90AA1HSP90AB1CHRNA7ADCY10KDM4E
SCHEMBL3946991 0.82 HSP90AA1 (0.74) HSP90AA1HSP90AB1CHRNA7ADCY10KDM4E
SCHEMBL3940837 0.80 HSP90AA1 (1.00) HSP90AA1HSP90AB1CHRNA7ADCY10KDM4E
SCHEMBL4213378 0.80 HSP90AA1 (0.70) HSP90AA1HSP90AB1CHRNA7ADCY10
SCHEMBL3944850 0.78 HSP90AA1 (0.81) HSP90AA1HSP90AB1CHRNA7ADCY10KDM4E
SCHEMBL3943592 0.78 HSP90AA1 (0.81) HSP90AA1HSP90AB1CHRNA7ADCY10KDM4E
SCHEMBL3951297 0.78 HSP90AA1 (0.66) HSP90AA1HSP90AB1CHRNA7ADCY10
SCHEMBL3946201 0.77 HSP90AA1 (0.65) HSP90AA1HSP90AB1CHRNA7ADCY10
SCHEMBL4221151 0.77 HSP90AA1 (0.65) HSP90AA1HSP90AB1ADCY10
SCHEMBL3951667 0.75 ADCY10 (0.63) HSP90AA1HSP90AB1ADCY10

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 1/4885CHRNA7 4656/4885

“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.