SCHEMBL3121682

SCHEMBL3121682

COc1cc(C#N)c(Sc2nc3c(N)ncnc3[nH]2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.36
HSP90AB1 P08238 6/20 0.36
ERBB2 P04626 3/20 0.36
ENPP1 P22413 2/20 0.35
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
MAPT P10636 1/20 0.34
MAP4K4 O95819 1/20 0.34
HPGDS O60760 1/20 0.33
EGFR P00533 1/20 0.33
PDE5A O76074 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3744472 0.84 HSP90AA1 (0.47) HSP90AA1HSP90AB1ERBB2MAPTMAP4K4
SCHEMBL3124057 0.83 HSP90AA1 (0.38) HSP90AA1HSP90AB1ERBB2ENPP1PDE5A
SCHEMBL13845726 0.82 HSP90AA1 (0.38) HSP90AA1HSP90AB1ERBB2MAP4K4EGFR
SCHEMBL3125506 0.82 HSP90AA1 (0.39) HSP90AA1HSP90AB1ERBB2ENPP1MAP4K4
SCHEMBL5044947 0.79 ERBB2 (0.37) HSP90AA1HSP90AB1ERBB2ENPP1P2RX3
SCHEMBL3126835 0.79 HSP90AA1 (0.44) HSP90AA1HSP90AB1ERBB2ENPP1P2RX3
SCHEMBL3751778 0.79 HSP90AA1 (0.41) HSP90AA1HSP90AB1ERBB2EGFR
SCHEMBL3524045 0.79 HSP90AA1 (0.47) HSP90AA1HSP90AB1ERBB2
SCHEMBL3127628 0.77 ERBB2 (0.41) HSP90AA1HSP90AB1ERBB2ENPP1MAPT
SCHEMBL1966212 0.77 ERBB2 (0.53) HSP90AA1HSP90AB1ERBB2MAP4K4EGFR

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 HSP90AA1 809/4885HSP90AB1 239/4885ERBB2 186/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HSP90AA1 809/4885HSP90AB1 239/4885ERBB2 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.