SCHEMBL2675112

SCHEMBL2675112

COc1ccc(Nc2ncc(-c3nc(N)cc(N4CCOCC4)n3)c(C(F)(F)F)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.49
PIK3CB P42338 6/20 0.49
PIK3CG P48736 5/20 0.49
PIK3CD O00329 5/20 0.49
MTOR P42345 7/20 0.47
PI4KB Q9UBF8 2/20 0.46
ULK1 O75385 1/20 0.44
PIK3C2B O00750 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
CSF1R P07333 1/20 0.42
DAPK1 P53355 1/20 0.42
KCNH2 Q12809 1/20 0.42
PIK3R5 Q8WYR1 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK3 P27361 1/20 0.41
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL855472 0.85 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL855812 0.80 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL856056 0.75 PIK3CA (0.60) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL856846 0.74 PIK3CA (0.59) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL10162284 0.73 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL12091786 0.73 PIK3CA (0.72) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL855570 0.72 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL855340 0.71 MTOR (0.76) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL10327754 0.70 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL856753 0.69 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A PIK3CA 5/4885PIK3CB 8/4885PIK3CG 9/4885

“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.