SCHEMBL799640

SCHEMBL799640

CCn1cnc2c(N3CCOC[C@@H]3C)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.62
MTOR P42345 12/20 0.62
PIK3CD O00329 5/20 0.62
PIK3R1 P27986 7/20 0.60
RPTOR Q8N122 7/20 0.60
MLST8 Q9BVC4 7/20 0.60
RICTOR Q6R327 6/20 0.60
MAPKAP1 Q9BPZ7 6/20 0.60
PIK3CB P42338 3/20 0.60
PIK3CG P48736 3/20 0.60
PIK3C3 Q8NEB9 2/20 0.60
ATR Q13535 2/20 0.57
CHEK1 O14757 1/20 0.49
PDCD1 Q15116 1/20 0.49
ATRIP Q8WXE1 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
MAP3K12 Q12852 2/20 0.49
HDAC1 Q13547 1/20 0.47

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
SCHEMBL336266 0.91 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL336390 0.90 PIK3CA (0.57) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL799324 0.80 MTOR (0.57) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL1612230 0.80 MTOR (0.57) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL25235943 0.80 MTOR (0.57) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL16473589 0.80 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL1608736 0.77 MTOR (1.00) PIK3CAMTORPIK3CDRPTORMLST8
SCHEMBL1608733 0.77 MTOR (1.00) PIK3CAMTORPIK3CDRPTORMLST8
SCHEMBL336770 0.77 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3R1RPTOR
SCHEMBL19003137 0.76 MAP3K12 (0.81) PIK3CAMTORPIK3CDRPTORMLST8

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
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 PIK3CA 22/4885MTOR 1/4885PIK3CD 46/4885

“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.