SCHEMBL3117459

SCHEMBL3117459

N#Cc1cc2c(cc1Sc1nc3c(N)ncnc3n1CCc1ccccc1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 16/20 0.66
HSP90AA1 P07900 16/20 0.66
ERBB2 P04626 3/20 0.56
TRAP1 Q12931 4/20 0.55
HSP90B1 P14625 1/20 0.51

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
SCHEMBL3126623 0.89 HSP90AB1 (0.78) HSP90AB1HSP90AA1ERBB2TRAP1HSP90B1
SCHEMBL3117330 0.87 HSP90AA1 (0.83) HSP90AB1HSP90AA1ERBB2
SCHEMBL3122389 0.87 TRAP1 (0.71) HSP90AB1HSP90AA1ERBB2TRAP1HSP90B1
SCHEMBL13050271 0.87 HSP90AA1 (0.69) HSP90AB1HSP90AA1ERBB2TRAP1HSP90B1
SCHEMBL3122628 0.83 HSP90AB1 (0.61) HSP90AB1HSP90AA1ERBB2TRAP1HSP90B1
SCHEMBL3118440 0.82 HSP90AA1 (0.78) HSP90AB1HSP90AA1ERBB2
SCHEMBL3120111 0.82 HSP90AA1 (0.78) HSP90AB1HSP90AA1ERBB2
SCHEMBL1670259 0.81 HSP90AA1 (0.78) HSP90AB1HSP90AA1ERBB2TRAP1HSP90B1
SCHEMBL3124347 0.80 HSP90AA1 (0.77) HSP90AB1HSP90AA1ERBB2
SCHEMBL3123931 0.79 HSP90AA1 (0.78) HSP90AB1HSP90AA1ERBB2

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 13 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-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 US disclosed
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-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 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
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 US 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 HSP90AB1 239/4885HSP90AA1 809/4885ERBB2 186/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HSP90AB1 239/4885HSP90AA1 809/4885ERBB2 186/4885

“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.