SCHEMBL7954940

SCHEMBL7954940

Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3-c2ccccc2)cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.55
MTOR P42345 6/20 0.55
PIK3R1 P27986 2/20 0.55
CSNK1D P48730 7/20 0.44
CSNK1E P49674 3/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL1578581 0.89 CSNK1D (0.49) PIK3CAMTORPIK3R1CSNK1DCSNK1E
SCHEMBL12652784 0.85 PIK3CA (0.47) PIK3CAMTORPIK3R1CSNK1DCSNK1E
SCHEMBL7955273 0.85 PIK3CA (0.49) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL8059503 0.84 PIK3CA (0.64) PIK3CAMTORPIK3R1CSNK1DCSNK1E
SCHEMBL7952852 0.84 PIK3CA (0.46) PIK3CAMTORPIK3R1CSNK1DCSNK1E
SCHEMBL7952901 0.83 PIK3CA (0.47) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL7953012 0.83 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL12618364 0.82 PIK3CA (0.44) PIK3CAMTORPIK3R1CSNK1DCSNK1E
SCHEMBL7953231 0.81 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL25618869 0.79 PIK3CA (0.48) PIK3CAMTORCSNK1DCSNK1EPIK3CB

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-20110105500-A1 PYRAZINE SUBSTITUTED PURINES S*BIO PTE LTD. (SG) 2011-05-05 US disclosed
US-20110105500-A1 PYRAZINE SUBSTITUTED PURINES S*BIO PTE LTD. (SG) 2011-05-05 US disclosed
WO-2009157880-A1 PYRAZINE SUBSTITUTED PURINES S*BIO PTE LTD (SG) 2009-12-30 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-20110105500-A1 PYRAZINE SUBSTITUTED PURINES MTOR, PIK3CA, TYMP PIK3CA 2/4885MTOR 1/4885PIK3R1 92/4885

“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.