SCHEMBL10328126

SCHEMBL10328126

CC(=O)c1cccc(-c2cc(-c3ccc(N)nc3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.58
MTOR P42345 4/20 0.58
PIK3R1 P27986 3/20 0.58
FYN P06241 1/20 0.53
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
PARP1 P09874 1/20 0.49
PRKDC P78527 1/20 0.47
MAP3K12 Q12852 1/20 0.47
AKT1 P31749 2/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
NR5A2 O00482 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
SCHEMBL10327618 0.91 PIK3CA (0.59) PIK3CAMTORPIK3R1LMNAPOLB
SCHEMBL10327822 0.88 BRAF (0.55) PIK3CAMTORPIK3R1LMNAPOLB
SCHEMBL10327601 0.87 PIK3CA (0.65) PIK3CAMTORPIK3R1
SCHEMBL10328141 0.85 PIK3CA (0.72) PIK3CAMTORPIK3R1LMNAPOLB
SCHEMBL10328077 0.84 PIK3CA (0.56) PIK3CAMTORPIK3R1LMNAPOLB
SCHEMBL10327617 0.82 PIK3CA (0.54) PIK3CAMTORPIK3R1MAP3K12AKT1
SCHEMBL10327853 0.81 PIK3CA (0.66) PIK3CAMTORPIK3R1LMNAHSD17B10
SCHEMBL3994767 0.81 PIK3CA (0.61) PIK3CAMTORPIK3R1LMNAPOLB
SCHEMBL14469032 0.81 PIK3CA (0.69) PIK3CAMTORPIK3R1LMNAPOLB
SCHEMBL10327826 0.80 PIK3CA (0.54) PIK3CAMTORPIK3R1LMNAMAP3K12

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-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
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
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.