SCHEMBL881132

SCHEMBL881132

Nc1ncc(-c2cc(N3CCOCC3)nc(Nc3cnc4ccccc4c3)n2)cn1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.70
MAP3K12 Q12852 1/20 0.55
AKT1 P31749 10/20 0.53
MTOR P42345 8/20 0.53
IGF1R P08069 1/20 0.52

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
SCHEMBL2815148 0.82 PIK3CA (1.00) PIK3CA
SCHEMBL881133 0.80 PIK3CA (0.54) PIK3CAMAP3K12AKT1MTOR
SCHEMBL881112 0.80 PIK3CA (0.54) PIK3CAMAP3K12AKT1MTOR
SCHEMBL12486629 0.79 IGF1R (0.53) PIK3CAIGF1R
SCHEMBL6319164 0.77 PIK3CA (0.58) PIK3CAIGF1R
SCHEMBL10327965 0.77 PIK3CA (0.74) PIK3CAMAP3K12AKT1MTOR
SCHEMBL881093 0.76 PIK3CA (0.55) PIK3CAAKT1MTORIGF1R
SCHEMBL10327901 0.75 PIK3CA (0.68) PIK3CA
SCHEMBL3451413 0.75 NPSR1 (0.67) PIK3CAIGF1R
SCHEMBL2675087 0.74 PIK3CA (0.53) PIK3CAMAP3K12AKT1MTOR

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 8 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
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.