SCHEMBL5458977

SCHEMBL5458977

COc1cc(-c2cnc3nc(N)nc(O)c3n2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.58
NOS1 P29475 6/20 0.54
FYN P06241 5/20 0.50
PIK3CA P42336 2/20 0.48
PIK3CB P42338 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 1/20 0.45
RECQL P46063 1/20 0.45
GFER P55789 1/20 0.45
MAPK1 P28482 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
CHEK2 O96017 2/20 0.44
TGFBR1 P36897 1/20 0.44

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
SCHEMBL4411134 0.85 NOS1 (0.55) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3766480 0.85 NOS1 (0.55) PIK3CGNOS1FYNPIK3CAPIK3CB
SCHEMBL14983452 0.81 PIK3CG (0.56) PIK3CGFYNPIK3CAPIK3CBGAA
SCHEMBL3765083 0.80 NOS1 (0.72) PIK3CGNOS1FYN
SCHEMBL5481513 0.78 NOS1 (0.65) PIK3CGNOS1FYN
SCHEMBL3760493 0.75 PIK3CG (0.61) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL5523882 0.75 NOS1 (0.74) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL4454283 0.74 NOS1 (0.67) PIK3CGNOS1PIK3CAMAPK1MAPK8
SCHEMBL4454688 0.73 NOS1 (0.62) PIK3CGNOS1PIK3CAPIK3CBHDAC6
SCHEMBL3762199 0.73 NOS1 (0.57) PIK3CGNOS1PIK3CAPIK3CBHDAC6

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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 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-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF PIK3CG 1315/4885NOS1 107/4885FYN 2227/4885

“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.