SCHEMBL7946722

SCHEMBL7946722

COCC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.56
MTOR P42345 5/20 0.56
PIK3CB P42338 2/20 0.52
PIK3CG P48736 2/20 0.52
PIK3C3 Q8NEB9 1/20 0.52
PIK3R1 P27986 2/20 0.48
HDAC3 O15379 15/20 0.45
HDAC4 P56524 15/20 0.45
HDAC1 Q13547 15/20 0.45
HDAC7 Q8WUI4 15/20 0.45
HDAC2 Q92769 15/20 0.45
HDAC10 Q969S8 15/20 0.45
HDAC11 Q96DB2 15/20 0.45
HDAC8 Q9BY41 15/20 0.45
HDAC6 Q9UBN7 15/20 0.45
HDAC9 Q9UKV0 15/20 0.45
HDAC5 Q9UQL6 15/20 0.45
PIK3CD O00329 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 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
SCHEMBL1577823 0.89 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL8082756 0.87 PIK3CA (0.62) PIK3CAMTORPIK3CBPIK3CGPIK3R1
SCHEMBL11986004 0.87 PIK3CA (0.76) PIK3CAMTORPIK3CBPIK3CGPIK3R1
SCHEMBL7953034 0.85 PIK3CA (0.61) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL7955237 0.84 PIK3CA (0.71) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL8067046 0.83 PIK3CA (0.62) PIK3CAMTORPIK3CBPIK3CGPIK3R1
SCHEMBL7946716 0.83 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL7956679 0.83 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CGPIK3C3
SCHEMBL8062411 0.83 PIK3CA (0.59) PIK3CAMTORPIK3CBPIK3CGPIK3R1
SCHEMBL8067898 0.82 PIK3CA (0.58) PIK3CAMTORPIK3CBPIK3CGPIK3R1

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 1/4885PIK3CB 19/4885

“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.