SCHEMBL2675087

SCHEMBL2675087

Nc1ncc(-c2cc(N3CCOCC3)nc(Nc3ccncc3C(F)(F)F)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.53
MAP3K12 Q12852 1/20 0.53
AKT1 P31749 12/20 0.52
MTOR P42345 12/20 0.52
PIK3CG P48736 2/20 0.44
PIK3R5 Q8WYR1 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3C2B O00750 1/20 0.44
PIK3R1 P27986 1/20 0.44
AKR1C3 P42330 1/20 0.44
PRKDC P78527 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
SMG1 Q96Q15 1/20 0.44

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
SCHEMBL881114 0.90 PIK3R1 (0.46) PIK3CAMAP3K12AKT1MTORPIK3CG
SCHEMBL2674742 0.84 CLK2 (0.52) PIK3CAMAP3K12AKT1MTORPIK3CG
SCHEMBL10327713 0.83 PIK3CA (0.64) PIK3CAMAP3K12MTORPIK3CGPIK3CB
SCHEMBL855470 0.81 PIK3CA (0.43) PIK3CAAKT1MTORPIK3CGPIK3CB
SCHEMBL10327656 0.76 PIK3CA (0.64) PIK3CAMAP3K12MTORPIK3CGPIK3CB
SCHEMBL855692 0.76 CLK2 (0.52) PIK3CAAKT1MTORPIK3CGPIK3R5
SCHEMBL12091754 0.75 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CBPIK3CD
SCHEMBL10327768 0.75 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3R5PIK3CB
SCHEMBL881132 0.74 PIK3CA (0.70) PIK3CAMAP3K12AKT1MTOR
SCHEMBL881133 0.74 PIK3CA (0.54) PIK3CAMAP3K12AKT1MTORPIK3CG

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 12 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
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
US-20100048547-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2132215-A2 COMPOUNDS FOR PREVENTING OR TREATING VIRAL INFECTIONS AND METHODS OF USE THEREOF The Governors of the University of Alberta (CA) 2009-12-16 EP disclosed
EP-2118087-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-11-18 EP disclosed
WO-2008104893-A2 COMPOUNDS FOR PREVENTING OR TREATING VIRAL INFECTIONS AND METHODS OF USE THEREOF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (US) 2008-09-04 WO disclosed
WO-2008098058-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2008-08-14 WO 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 PIK3CA 5/4885MAP3K12 60/4885AKT1 22/4885

“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.