SCHEMBL3946201

SCHEMBL3946201

COc1cccc(OCC2CCOCC2)c1-c1cc(Cl)nc(N)n1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.65
HSP90AB1 P08238 6/20 0.65
DCPS Q96C86 3/20 0.52
DHFR P00374 1/20 0.52
ADCY10 Q96PN6 4/20 0.44
MCHR1 Q99705 1/20 0.42
CHRNA7 P36544 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.38
PIK3CA P42336 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.80 HSP90AA1 (1.00) HSP90AA1HSP90AB1DCPSADCY10CHRNA7
SCHEMBL3951667 0.80 ADCY10 (0.63) HSP90AA1HSP90AB1ADCY10
SCHEMBL3944544 0.77 HSP90AA1 (0.76) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL3946991 0.76 HSP90AA1 (0.74) HSP90AA1HSP90AB1DCPSDHFRADCY10
SCHEMBL3940837 0.74 HSP90AA1 (1.00) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL3945184 0.74 HSP90AA1 (0.60) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL4213378 0.74 HSP90AA1 (0.70) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL4221151 0.73 HSP90AA1 (0.65) HSP90AA1HSP90AB1ADCY10
SCHEMBL3943592 0.72 HSP90AA1 (0.81) HSP90AA1HSP90AB1ADCY10CHRNA7
SCHEMBL3944850 0.72 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 1/4885DCPS 3826/4885

“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.