SCHEMBL856750

SCHEMBL856750

CNc1ncc(-c2cc(N3CCOCC3)nc(N3CCOc4ccccc43)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.51
MAP3K12 Q12852 1/20 0.51
AKT1 P31749 7/20 0.45
MTOR P42345 5/20 0.44
PIK3R1 P27986 1/20 0.44
PDPK1 O15530 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL857119 0.88 PIK3CA (0.67) PIK3CAMAP3K12AKT1MTORPIK3R1
SCHEMBL855764 0.85 PIK3CA (0.64) PIK3CAMAP3K12AKT1MTORMAPT
SCHEMBL10327761 0.81 PIK3CA (0.67) PIK3CAMAP3K12AKT1MTORPIK3R1
SCHEMBL10328178 0.77 PIK3CA (0.55) PIK3CAMAP3K12AKT1MTORPIK3R1
SCHEMBL857404 0.74 PIK3CA (0.52) PIK3CAMAP3K12AKT1MTORPIK3R1
SCHEMBL854991 0.73 PIK3CA (0.80) PIK3CAMAP3K12AKT1MTORPIK3R1
SCHEMBL13492026 0.72 PIK3CA (0.53) PIK3CAMAP3K12AKT1MTORPIK3R1
SCHEMBL14135360 0.72 PIK3CA (0.67) PIK3CAMAP3K12AKT1MTORMAPT
SCHEMBL26025308 0.70 PIK3CA (0.57) PIK3CAAKT1MTORMAPTTSHR
SCHEMBL10327890 0.69 PIK3CA (1.00) PIK3CAMAP3K12AKT1MTORPIK3R1

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 9 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
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
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.