SCHEMBL3750034

SCHEMBL3750034

CCc1ccc(Br)c(Sc2nc3c(N)ncnc3[nH]2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.38
HSP90AB1 P08238 4/20 0.38
ERBB2 P04626 2/20 0.36
MAP4K4 O95819 4/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CDC37 Q16543 1/20 0.32
PI4KA P42356 2/20 0.32
PI4K2B Q8TCG2 2/20 0.32
PI4K2A Q9BTU6 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL3517738 0.79 HSP90AA1 (0.40) HSP90AA1HSP90AB1ERBB2MAP4K4ADORA2A
SCHEMBL16486937 0.79 ERBB2 (0.36) HSP90AA1HSP90AB1ERBB2MAP4K4ADORA2A
SCHEMBL3124057 0.77 HSP90AA1 (0.38) HSP90AA1HSP90AB1ERBB2DHFR
SCHEMBL3125128 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1ERBB2MAP4K4ADORA2A
SCHEMBL3517145 0.76 HSP90AA1 (0.42) HSP90AA1HSP90AB1ERBB2ADORA2AADORA1
SCHEMBL3118790 0.76 PRMT5 (0.40) HSP90AA1HSP90AB1ERBB2MAP4K4ADORA2A
SCHEMBL17771563 0.75 SKP2 (0.37) HSP90AA1HSP90AB1ERBB2ADORA2API4KA
SCHEMBL3748288 0.74 HSP90AA1 (0.44) HSP90AA1HSP90AB1ERBB2ADORA2AADORA1
SCHEMBL3116014 0.73 HSP90AA1 (0.44) HSP90AA1HSP90AB1ERBB2
SCHEMBL1858420 0.73 HSP90AA1 (0.50) HSP90AA1HSP90AB1ERBB2

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 659/4885HSP90AB1 501/4885ERBB2 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.