SCHEMBL3744472

SCHEMBL3744472

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.47
MAPT P10636 2/20 0.40
HSP90AB1 P08238 6/20 0.39
ERBB2 P04626 6/20 0.39
MAP4K4 O95819 1/20 0.38
HSP90B1 P14625 1/20 0.37
NSD2 O96028 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 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
SCHEMBL3121682 0.84 HSP90AA1 (0.36) HSP90AA1MAPTHSP90AB1ERBB2MAP4K4
SCHEMBL1966212 0.84 ERBB2 (0.53) HSP90AA1HSP90AB1ERBB2MAP4K4HSP90B1
SCHEMBL14467034 0.84 ERBB2 (0.41) HSP90AA1HSP90AB1ERBB2MAP4K4
SCHEMBL13079975 0.83 GAA (0.41) HSP90AA1MAPTHSP90AB1ERBB2MAP4K4
SCHEMBL4339904 0.83 ERBB2 (0.52) HSP90AA1HSP90AB1ERBB2MAP4K4
SCHEMBL3126758 0.83 HSP90AB1 (0.51) HSP90AA1HSP90AB1ERBB2MAP4K4
SCHEMBL3740870 0.83 ERBB2 (0.43) HSP90AA1HSP90AB1ERBB2MAP4K4HSP90B1
SCHEMBL3111577 0.82 HSP90B1 (0.50) HSP90AA1HSP90AB1ERBB2MAP4K4HSP90B1
SCHEMBL3114495 0.79 HSP90AA1 (0.39) HSP90AA1HSP90AB1ERBB2MAP4K4HSP90B1
SCHEMBL13845726 0.78 HSP90AA1 (0.38) HSP90AA1HSP90AB1ERBB2MAP4K4HSP90B1

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 4 patents. 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
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 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 (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 HSP90AA1 659/4885MAPT 134/4885HSP90AB1 501/4885

“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.