SCHEMBL3520158

SCHEMBL3520158

Nc1ncnc2c1ncn2C1CCN(C(=O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.69
PI4KA P42356 3/20 0.66
PI4K2B Q8TCG2 3/20 0.66
PI4K2A Q9BTU6 3/20 0.66
PI4KB Q9UBF8 3/20 0.66
ADORA3 P0DMS8 2/20 0.66
ADORA1 P30542 2/20 0.66
ADORA2B P29275 1/20 0.66
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
NFKB1 P19838 1/20 0.62
THPO P40225 1/20 0.62
BLM P54132 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ADCY5 O95622 10/20 0.60
CHKA P35790 1/20 0.55
AHCY P23526 1/20 0.52

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
SCHEMBL2727979 0.85 ADORA2A (0.64) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL305622 0.84 ADORA2A (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL3516021 0.83 ADORA2A (0.60) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL28984637 0.83 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21435666 0.80 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL978424 0.80 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
Methyl Alcohol SCHEMBL10438261 0.79 ADORA2A (0.91) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL3245641 0.79 ADORA2A (1.00) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6045812 0.78 ADCY5 (0.76) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL6045706 0.78 ADCY5 (0.76) ADORA2API4KAPI4K2BPI4K2API4KB

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 3 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
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

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 ADORA2A 2396/4885PI4KA 3443/4885PI4K2B 4075/4885

“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.