SCHEMBL7955199

SCHEMBL7955199

Nc1cnc(-c2nc(N3CCOCC3)nc3c2ncn3C2CCCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.53
PIK3CA P42336 10/20 0.52
MTOR P42345 6/20 0.52
PIK3R1 P27986 6/20 0.52
PIK3CB P42338 2/20 0.48
PIK3CG P48736 2/20 0.48
PIK3C3 Q8NEB9 1/20 0.48
PDGFRA P16234 1/20 0.45
PIK3CD O00329 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
SCTR P47872 1/20 0.39
SMO Q99835 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
SCHEMBL7953276 0.98 PIK3CA (0.52) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL7954509 0.90 PIK3CA (0.50) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL7955273 0.89 PIK3CA (0.49) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL7954721 0.88 PIK3CA (0.48) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL7953231 0.86 PIK3CA (0.51) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL7952901 0.85 PIK3CA (0.47) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL6898715 0.85 MTOR (0.67) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL12910338 0.85 FLT3 (0.55) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL7956746 0.84 PIK3CA (0.47) FLT3PIK3CAMTORPIK3R1PIK3CB
SCHEMBL8062689 0.84 PIK3CA (0.64) FLT3PIK3CAMTORPIK3R1PIK3CB

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 FLT3 551/4885PIK3CA 2/4885MTOR 1/4885

“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.