SCHEMBL3750043

SCHEMBL3750043

CC(C)(C)OC(=O)N1CCC(CCn2c(Br)nc3c(N)ncnc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.51
HSP90AB1 P08238 13/20 0.51
ADORA2A P29274 5/20 0.50
ADORA2B P29275 5/20 0.50
ADORA1 P30542 5/20 0.50
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL3111832 0.87 HSP90AA1 (0.63) HSP90AA1HSP90AB1ADORA2AADORA2BADORA1
SCHEMBL13080598 0.87 HSP90AA1 (0.51) HSP90AA1HSP90AB1ADORA2AADORA2BADORA1
SCHEMBL13520073 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1ADORA2AADORA2BADORA1
SCHEMBL3515942 0.86 ADORA2A (0.56) HSP90AA1HSP90AB1ADORA2AADORA2BADORA1
SCHEMBL27774220 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1ADORA2AADORA2BADORA1
SCHEMBL14384958 0.83 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL3751306 0.82 PI4KA (0.50) ADORA2AADORA2BADORA1
SCHEMBL3517750 0.82 ADORA2A (0.59) ADORA2AADORA2BADORA1ADORA3
SCHEMBL3119789 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1ADORA2AADORA2BADORA1
SCHEMBL3119774 0.81 HSP90AA1 (0.55) HSP90AA1HSP90AB1ADORA2AADORA2BADORA1

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 8 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 claimed
US-20130053406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MYREXIS, INC. (US) 2013-02-28 US disclosed
US-20130053406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MYREXIS, INC. (US) 2013-02-28 US disclosed
WO-2012148550-A1 PRODRUGS OF THERAPEUTIC COMPOUNDS MYREXIS, INC. (US) 2012-11-01 WO 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
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 (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-20130053406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF VHL, TP53, MCL1 HSP90AA1 815/4885HSP90AB1 423/4885ADORA2A 2643/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR HSP90AA1 659/4885HSP90AB1 501/4885ADORA2A 2396/4885

“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.