SCHEMBL7946720

SCHEMBL7946720

Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3CC2CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.51
MTOR P42345 11/20 0.51
PIK3R1 P27986 7/20 0.51
PIK3CG P48736 4/20 0.50
PIK3CB P42338 2/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
HDAC1 Q13547 4/20 0.45
MERTK Q12866 1/20 0.42
PIK3CD O00329 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
ATR Q13535 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
SCHEMBL6898844 0.85 MTOR (0.69) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL8050423 0.85 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL7953828 0.84 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL7953012 0.82 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL7955199 0.81 FLT3 (0.53) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL7953276 0.81 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL1578267 0.80 ADORA2A (0.47) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL7956679 0.79 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL7954509 0.79 PIK3CA (0.50) PIK3CAMTORPIK3R1PIK3CGPIK3CB
SCHEMBL7955237 0.79 PIK3CA (0.71) PIK3CAMTORPIK3R1PIK3CGPIK3CB

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.