SCHEMBL856068

SCHEMBL856068

COc1cncc(-c2cc(N3CCOCC3)nc(-c3cnc(N)nc3C(F)(F)F)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.58
PIK3CA P42336 11/20 0.58
PIK3CB P42338 8/20 0.58
PIK3CD O00329 2/20 0.55
PIK3CG P48736 2/20 0.55
PIK3C2B O00750 1/20 0.55
PIK3R1 P27986 1/20 0.55
PIK3C3 Q8NEB9 1/20 0.55
PI4KB Q9UBF8 1/20 0.55

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
SCHEMBL855844 0.88 PIK3CA (0.54) MTORPIK3CAPIK3CBPIK3R1
SCHEMBL855852 0.86 PIK3CA (0.56) MTORPIK3CAPIK3R1
SCHEMBL855340 0.82 MTOR (0.76) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL10198065 0.79 MTOR (0.61) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL857091 0.79 PIK3CA (0.53) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL855781 0.78 PIK3CA (0.57) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL1311948 0.75 PIK3CA (0.71) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL855472 0.75 PIK3CA (0.56) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL10327728 0.74 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG
SCHEMBL29627295 0.74 MTOR (1.00) MTORPIK3CAPIK3CBPIK3CDPIK3CG

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 10 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-2118087-A1 PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-11-18 EP 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 MTOR 64/4885PIK3CA 5/4885PIK3CB 8/4885

“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.