SCHEMBL13079975

SCHEMBL13079975

COc1ccc(O)c(Sc2nc3c(N)ncnc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALPL P05186 2/20 0.41
ALPI P09923 2/20 0.41
ALPG P10696 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL14467034 0.87 ERBB2 (0.41) ERBB2MAP4K4HSP90AB1HSP90AA1
SCHEMBL1966212 0.87 ERBB2 (0.53) ERBB2MAP4K4HSP90AB1HSP90AA1
SCHEMBL3126758 0.86 HSP90AB1 (0.51) TSHRERBB2MAP4K4HSP90AB1HSP90AA1
SCHEMBL4339904 0.86 ERBB2 (0.52) ERBB2MAP4K4HSP90AB1HSP90AA1
SCHEMBL3111577 0.85 HSP90B1 (0.50) ERBB2MAP4K4HSP90AB1HSP90AA1
SCHEMBL3744472 0.83 HSP90AA1 (0.47) KDM4EMAPTERBB2MAP4K4HSP90AB1
SCHEMBL3740870 0.81 ERBB2 (0.43) ERBB2MAP4K4HSP90AB1HSP90AA1
SCHEMBL3114495 0.81 HSP90AA1 (0.39) TSHRERBB2MAP4K4HSP90AB1HSP90AA1
SCHEMBL4342949 0.80 HSP90AA1 (0.53) MAP4K4HSP90AB1HSP90AA1
SCHEMBL5038927 0.79 HSP90AB1 (0.38) ERBB2MAP4K4HSP90AB1HSP90AA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US 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 (1 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-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR GAA 16/4885ALPL 3088/4885ALPI 681/4885

“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.