SCHEMBL3113829

SCHEMBL3113829

Nc1ncnc2[nH]c(Sc3cc(OC(F)(F)F)ccc3OC3CCCC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
SCD O00767 1/20 0.35
PPARD Q03181 2/20 0.34
PPARA Q07869 1/20 0.34
PDE4B Q07343 2/20 0.33
PDE4D Q08499 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
GRM7 Q14831 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
TACR1 P25103 1/20 0.33
KCNH2 Q12809 1/20 0.33
DHFR P00374 1/20 0.33
TNK2 Q07912 1/20 0.33
MAP4K4 O95819 1/20 0.33
RIPK2 O43353 1/20 0.32
DGAT1 O75907 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
SCHEMBL3740870 0.81 ERBB2 (0.43) DHFRMAP4K4
SCHEMBL5038825 0.80 ERBB2 (0.41) PDE4DDHFR
SCHEMBL3120333 0.74 HSP90AB1 (0.50)
SCHEMBL1966212 0.73 ERBB2 (0.53) DHFRMAP4K4
SCHEMBL3116754 0.72 ERBB2 (0.42) DHFRMAP4K4
SCHEMBL3127666 0.72 HSP90AA1 (0.54)
SCHEMBL16487086 0.70 HSP90B1 (0.34) DHFR
SCHEMBL14467034 0.69 ERBB2 (0.41) DHFRMAP4K4
SCHEMBL3128953 0.69 ERBB2 (0.40) DHFRMAP4K4
SCHEMBL3127628 0.67 ERBB2 (0.41) DHFR

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 9 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-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-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 SCN8A 4346/4885SCN10A 2810/4885SCD 3030/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 SCN8A 4346/4885SCN10A 2810/4885SCD 3030/4885

“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.