SCHEMBL3397609

SCHEMBL3397609

COc1c(Cl)c[c]c(Br)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3389592 0.85 CA2 (0.34) CA2CA4
SCHEMBL3390514 0.85 CA2 (0.39) CA2CA4
SCHEMBL3393602 0.77 KDM4E (0.32) KDM4EALDH1A1HSD17B10
SCHEMBL3391880 0.77 CA2 (0.34) CA2CA4
SCHEMBL3396256 0.74 KDM4E (0.31) KDM4EALDH1A1HSD17B10
SCHEMBL3392911 0.74 KDM4E (0.32) KDM4EALDH1A1HSD17B10
SCHEMBL3395140 0.74 CA2 (0.32) CA2CA4KDM4EALDH1A1HSD17B10
SCHEMBL3393829 0.74 CA2 (0.32) CA2CA4
SCHEMBL3393386 0.73
SCHEMBL1401621 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-05-17 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
US-7129244-B2 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2006-10-31 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
US-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US 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 (4 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-20050113339-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4493/4885CA4 4697/4885KDM4E 4038/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4096/4885CA4 4607/4885KDM4E 3577/4885
US-20070111997-A1 Triazolopyrimidines and related analogs as HSP90-inhibitors HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4493/4885CA4 4697/4885KDM4E 4038/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4096/4885CA4 4607/4885KDM4E 3577/4885

“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.