SCHEMBL881114

SCHEMBL881114

CNc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 5/20 0.46
PIK3CA P42336 9/20 0.42
SYK P43405 1/20 0.42
PIK3CG P48736 2/20 0.42
PIK3R5 Q8WYR1 2/20 0.42
MTOR P42345 3/20 0.41
SMG1 Q96Q15 1/20 0.41
AKT1 P31749 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
MAP3K12 Q12852 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3C2B O00750 1/20 0.39
AKR1C3 P42330 1/20 0.39
PIK3CB P42338 1/20 0.39
PRKDC P78527 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
ZAP70 P43403 1/20 0.39
LRRK2 Q5S007 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
SCHEMBL2675087 0.90 PIK3CA (0.53) PIK3R1PIK3CAPIK3CGPIK3R5MTOR
SCHEMBL855692 0.85 CLK2 (0.52) PIK3R1PIK3CASYKPIK3CGPIK3R5
SCHEMBL2674742 0.77 CLK2 (0.52) PIK3R1PIK3CAPIK3CGMTORSMG1
SCHEMBL881139 0.75 AIMP2 (0.51) PIK3CAMTORMAP3K12ZAP70
SCHEMBL881134 0.74 PIK3CA (0.47) PIK3CAMAP3K12PIK3CDZAP70
SCHEMBL10327713 0.73 PIK3CA (0.64) PIK3R1PIK3CAPIK3CGMTORMAP3K12
SCHEMBL855470 0.73 PIK3CA (0.43) PIK3R1PIK3CAPIK3CGMTORAKT1
SCHEMBL857404 0.72 PIK3CA (0.52) PIK3R1PIK3CAMTORAKT1MAP3K12
SCHEMBL881093 0.71 PIK3CA (0.55) PIK3CAMTORSMG1AKT1ZAP70
SCHEMBL855909 0.71 PIK3CA (0.41) PIK3CASYKMAP3K12ZAP70

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 6 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-8173647-B2 PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-08 US disclosed
EP-2118087-B1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-03-28 EP disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 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-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KA, PI4KB, PI4K2A PIK3R1 43/4885PIK3CA 5/4885SYK 487/4885

“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.