SCHEMBL3116409

SCHEMBL3116409

CC(=O)Nc1ccc(Sc2nc3c(N)ncnc3[nH]2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KDR P35968 3/20 0.43
RET P07949 2/20 0.39
RORC P51449 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAP4K4 O95819 1/20 0.38
LIMK1 P53667 2/20 0.38
EGFR P00533 1/20 0.38
ENPP1 P22413 1/20 0.38
MAPKAPK2 P49137 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 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
SCHEMBL16487017 0.78 HSP90AA1 (0.49) ERBB2HSP90AA1HSP90AB1LMNA
SCHEMBL16487228 0.78 HSP90AA1 (0.49) ERBB2HSP90AA1HSP90AB1MAP4K4LMNA
SCHEMBL14385001 0.77 HSP90AA1 (0.47) ERBB2HSP90AA1HSP90AB1MAP4K4ENPP1
SCHEMBL1861838 0.76 HSP90AA1 (0.69) ERBB2HSP90AA1HSP90AB1ALDH1A1MAP4K4
SCHEMBL16486623 0.74 HSP90AA1 (0.46) ERBB2HSP90AA1HSP90AB1MAP4K4LMNA
SCHEMBL15080556 0.74 HSP90AA1 (0.49) ERBB2HSP90AA1HSP90AB1MAP4K4LMNA
SCHEMBL7615800 0.72 ALDH1A1 (0.51) RORCALDH1A1LMNAMAPT
SCHEMBL16487161 0.71 LMNA (0.45) ERBB2HSP90AA1HSP90AB1MAP4K4LMNA
SCHEMBL3126758 0.71 HSP90AB1 (0.51) ERBB2HSP90AA1HSP90AB1MAP4K4LMNA
SCHEMBL16487461 0.71 HSP90B1 (0.47) ERBB2HSP90AA1HSP90AB1MAP4K4LMNA

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 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.