SCHEMBL10328135

SCHEMBL10328135

Cc1nc(N)ncc1-c1cc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.66
MTOR P42345 11/20 0.66
PIK3R1 P27986 7/20 0.66
PIK3CB P42338 5/20 0.54
MAP3K12 Q12852 1/20 0.50
RICTOR Q6R327 1/20 0.48
RPTOR Q8N122 1/20 0.48
MAPKAP1 Q9BPZ7 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
PIK3CD O00329 2/20 0.47
PIK3C2B O00750 2/20 0.47
PIK3CG P48736 2/20 0.47
PIK3C3 Q8NEB9 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
AKR1C3 P42330 1/20 0.46
PRKDC P78527 1/20 0.46
PIK3R5 Q8WYR1 1/20 0.46

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
SCHEMBL10327672 0.88 PIK3CA (0.76) PIK3CAMTORPIK3R1PIK3CBMAP3K12
SCHEMBL14469034 0.83 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CBMAP3K12
SCHEMBL2811686 0.81 PIK3CA (0.74) PIK3CAMTORPIK3R1PIK3CBMAP3K12
SCHEMBL10327676 0.81 PIK3CA (0.67) PIK3CAMTORPIK3R1PIK3CBMAP3K12
SCHEMBL1310736 0.80 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CBRICTOR
SCHEMBL855724 0.79 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CBMAP3K12
SCHEMBL10328129 0.79 PIK3CA (0.66) PIK3CAMTORPIK3R1PIK3CBRICTOR
SCHEMBL1311141 0.77 PIK3CA (0.57) PIK3CAMTORPIK3R1PIK3CBMAP3K12
SCHEMBL4972261 0.77 PIK3CA (0.54) PIK3CAMTORPIK3R1PIK3CBMAP3K12
SCHEMBL13016547 0.76 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CBMAP3K12

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-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

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 1/4885MTOR 62/4885PIK3R1 51/4885
US-20120225859-A1 PYRIMIDINE DERIVATIVES USED AS PI-3 KINASE INHIBITORS PIK3CA, PI4KA, PI4KB PIK3CA 1/4885MTOR 57/4885PIK3R1 44/4885

“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.