SCHEMBL3258117

SCHEMBL3258117

CCCCCc1nc(N)c2cn[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.41
PI4KA P42356 2/20 0.41
PI4K2B Q8TCG2 2/20 0.41
PI4K2A Q9BTU6 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
RET P07949 1/20 0.41
LRRK2 Q5S007 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADORA3 P0DMS8 9/20 0.39
ADORA1 P30542 4/20 0.39
ADORA2B P29275 3/20 0.39
ADORA2A P29274 2/20 0.39
HTT P42858 1/20 0.37
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL7540624 0.95 XDH (0.42) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL4566028 0.83 XDH (0.45) XDHALDH1A1ADORA3ADORA1ADORA2B
SCHEMBL5007650 0.82 XDH (0.47) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL3260329 0.79 ALDH1A1 (0.48) XDHALDH1A1ADORA3ADORA1ADORA2A
SCHEMBL25421168 0.76 ADORA2A (0.39) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL3257605 0.75 MAPK1 (0.53) ADORA3ADORA2AHTTCCNE1CDK2
SCHEMBL21481556 0.75 CYP3A4 (0.44) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL3260370 0.74 XDH (0.39) XDHPI4KAPI4K2BPI4K2API4KB
SCHEMBL3260357 0.73 CCNE1 (0.45) XDHADORA3ADORA2ACCNE1CDK2
SCHEMBL4566029 0.73 XDH (0.41) XDHPI4KAPI4K2BPI4K2API4KB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-01-21 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-20100015141-A1 4-PHENOXY-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE AND N-ARYL-6-ARYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD XDH 2371/4885PI4KA 5/4885PI4K2B 20/4885

“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.