SCHEMBL3116754

SCHEMBL3116754

CCOc1ccc(OCC)c(Sc2nc3c(N)ncnc3[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.42
NPC1 O15118 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 2/20 0.38
DHFR P00374 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3CD O00329 2/20 0.36
ABL1 P00519 2/20 0.36
EGFR P00533 2/20 0.36
HCK P08631 2/20 0.36
SRC P12931 2/20 0.36
KDR P35968 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36

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
SCHEMBL1966212 0.84 ERBB2 (0.53) ERBB2HSP90AA1HSP90AB1DHFREGFR
SCHEMBL3740870 0.78 ERBB2 (0.43) ERBB2HSP90AA1HSP90AB1DHFREGFR
SCHEMBL14467034 0.77 ERBB2 (0.41) ERBB2HSP90AA1HSP90AB1DHFRMAP4K4
SCHEMBL3111577 0.77 HSP90B1 (0.50) ERBB2HSP90AA1HSP90AB1DHFREGFR
SCHEMBL3127628 0.77 ERBB2 (0.41) ERBB2MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL3128953 0.76 ERBB2 (0.40) ERBB2HSP90AA1HSP90AB1DHFREGFR
SCHEMBL4339904 0.76 ERBB2 (0.52) ERBB2HSP90AA1HSP90AB1MAP4K4
SCHEMBL3126758 0.76 HSP90AB1 (0.51) ERBB2HSP90AA1HSP90AB1MAP4K4
SCHEMBL13079975 0.76 GAA (0.41) ERBB2NPC1MEN1KMT2AHSP90AA1
SCHEMBL14384475 0.74 ENPP1 (0.43) ERBB2HSP90AA1HSP90AB1DHFRHPGD

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 186/4885NPC1 206/4885MEN1 1604/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 ERBB2 186/4885NPC1 206/4885MEN1 1604/4885

“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.