SCHEMBL10328129

SCHEMBL10328129

Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc(Cl)c1C

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3R1 P27986 10/20 0.66
MTOR P42345 10/20 0.66
PIK3CD O00329 6/20 0.49
RICTOR Q6R327 1/20 0.48
RPTOR Q8N122 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
PIK3CB P42338 3/20 0.47
PIK3CG P48736 2/20 0.47
PIK3C2B O00750 1/20 0.47
PIK3C3 Q8NEB9 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
JAK3 P52333 1/20 0.45

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
SCHEMBL10328260 0.85 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL14468789 0.83 PIK3CA (0.62) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL1310736 0.80 PIK3CA (1.00) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL10328135 0.79 PIK3CA (0.66) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL16639078 0.77 PIK3CA (0.65) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL20725700 0.76 PIK3CA (0.63) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL18117893 0.76 PIK3CA (0.90) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL1309060 0.76 PIK3CA (0.90) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL10327870 0.75 PIK3CA (0.68) PIK3CAPIK3R1MTORPIK3CDRICTOR
SCHEMBL1311181 0.75 PIK3CA (0.88) PIK3CAPIK3R1MTORPIK3CDRICTOR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-8563549-B2 Pyrimidine derivatives used as PI-3 kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
EP-2261223-B1 Pyrimidine derivatives used as pi-3 kinase inhibitors NOVARTIS AG (CH) 2013-06-12 EP disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
US-8217035-B2 Pyrimidine derivatives used as PI-3-kinase inhibitors NOVARTIS AG (CH) 2012-07-10 US disclosed
EP-2261223-A1 Pyrimidine derivatives used as pi-3 kinase inhibitors Novartis AG (CH) 2010-12-15 EP disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
US-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2010-09-30 US disclosed
EP-1984350-B1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS NOVARTIS AG (CH) 2010-08-18 EP 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 (2 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-20100249126-A1 PYRIMIDINE DERIVATIVES USED AS PI-3-KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3R1 51/4885MTOR 62/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885PIK3R1 44/4885MTOR 57/4885

“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.