SCHEMBL3115659

SCHEMBL3115659

COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CCC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.64
HSP90AA1 P07900 17/20 0.62
HSP90AB1 P08238 17/20 0.62
HSP90B1 P14625 1/20 0.53

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
SCHEMBL3120080 0.94 ERBB2 (0.64) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL13519766 0.91 ERBB2 (0.61) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL3124741 0.91 ERBB2 (0.61) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL3126186 0.90 HSP90AA1 (0.55) ERBB2HSP90AA1HSP90AB1
SCHEMBL3118942 0.88 ERBB2 (0.65) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL3120530 0.88 ERBB2 (0.71) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL3121866 0.88 ERBB2 (0.71) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL3121934 0.86 ERBB2 (0.69) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL3127516 0.86 ERBB2 (0.69) ERBB2HSP90AA1HSP90AB1HSP90B1
SCHEMBL3517736 0.86 HSP90AB1 (0.60) ERBB2HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 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 (2 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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ERBB2 186/4885HSP90AA1 809/4885HSP90AB1 239/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ERBB2 186/4885HSP90AA1 809/4885HSP90AB1 239/4885

“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.