SCHEMBL2954550

SCHEMBL2954550

Nc1nc(N)c2ncn(C3CCCCC3)c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.66
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 0.63
ADORA1 P30542 2/20 0.63
ADORA2B P29275 1/20 0.59
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.52
AHCY P23526 3/20 0.50
CDK1 P06493 3/20 0.46
CCNE1 P24864 3/20 0.46
CDK2 P24941 3/20 0.46

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
SCHEMBL17352601 0.98 ADORA2A (0.65) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL15941621 0.92 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
Sulfuric Acid SCHEMBL9424495 0.90 CYP1A2 (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL10763696 0.85 ADORA2A (0.62) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL2949862 0.85 ADORA2A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL2952924 0.85 ADORA2A (0.51) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL12067547 0.85 ADORA2A (0.55) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL11807186 0.84 ADORA2A (0.63) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL2953211 0.83 ADORA2A (0.48) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL29444625 0.83 ADORA2A (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ADORA2A 1259/4885PI4KA 4024/4885PI4K2B 4447/4885

“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.