SCHEMBL3517876

SCHEMBL3517876

COc1ccc(C#N)c(Sc2nc3c(N)ncnc3n2CCC2CCN(C=O)CC2)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.72
HSP90AA1 P07900 17/20 0.72
ERBB2 P04626 4/20 0.53

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
SCHEMBL18203359 0.93 HSP90AB1 (0.63) HSP90AB1HSP90AA1ERBB2
SCHEMBL18203376 0.90 HSP90AB1 (0.63) HSP90AB1HSP90AA1ERBB2
SCHEMBL3118942 0.90 ERBB2 (0.65) HSP90AB1HSP90AA1ERBB2
SCHEMBL20853496 0.89 HSP90AA1 (0.62) HSP90AB1HSP90AA1ERBB2
SCHEMBL3520249 0.88 HSP90AB1 (0.59) HSP90AB1HSP90AA1ERBB2
SCHEMBL3516197 0.87 HSP90AB1 (0.61) HSP90AB1HSP90AA1ERBB2
SCHEMBL18203255 0.85 HSP90AB1 (0.57) HSP90AB1HSP90AA1ERBB2
SCHEMBL1670243 0.85 HSP90AB1 (0.57) HSP90AB1HSP90AA1ERBB2
SCHEMBL3116106 0.84 HSP90AB1 (0.61) HSP90AB1HSP90AA1ERBB2
SCHEMBL18203251 0.84 HSP90AB1 (0.56) HSP90AB1HSP90AA1ERBB2

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-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
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO 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 HSP90AB1 501/4885HSP90AA1 659/4885ERBB2 802/4885

“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.