SCHEMBL7952861

SCHEMBL7952861

Nc1cnc(-c2nc(N3CCOCC3)nc3[nH]cnc23)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.58
MTOR P42345 14/20 0.58
PIK3R1 P27986 6/20 0.58
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PIK3CD O00329 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
JAK3 P52333 1/20 0.40
SRC P12931 1/20 0.39
MAP3K12 Q12852 1/20 0.39

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
SCHEMBL8079836 0.83 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDJAK2
SCHEMBL8062292 0.82 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CDJAK2
SCHEMBL6900730 0.81 MTOR (0.58) PIK3CAMTORPIK3R1PIK3CBPIK3CG
SCHEMBL30677407 0.79 GAA (0.47) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL31748485 0.76 SRC (0.47) PIK3CAMTORPIK3R1SRC
SCHEMBL7953034 0.73 PIK3CA (0.61) PIK3CAMTORPIK3R1PIK3CDJAK2
SCHEMBL7953276 0.72 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CDJAK2
SCHEMBL7955237 0.72 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CDJAK2
SCHEMBL7954940 0.72 PIK3CA (0.55) PIK3CAMTORPIK3R1ALOX5APFEN1
SCHEMBL7955199 0.72 FLT3 (0.53) PIK3CAMTORPIK3R1PIK3CDJAK2

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.