SCHEMBL10328007

SCHEMBL10328007

Nc1ccc(-c2cc(-c3cccnc3NCCO)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.49
PIK3R1 P27986 5/20 0.47
MTOR P42345 3/20 0.47
FLT3 P36888 1/20 0.47
SYK P43405 3/20 0.43
PIK3CG P48736 3/20 0.43
PIK3CD O00329 1/20 0.43
MAP3K12 Q12852 1/20 0.41
PIK3CB P42338 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL15334720 0.91 PIK3CA (0.53) PIK3CAPIK3R1MTORFLT3PIK3CG
SCHEMBL12091850 0.84 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL2814051 0.83 PIK3CA (0.50) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL2817479 0.81 PIK3CA (0.55) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL10328180 0.81 PIK3CA (0.46) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL10328141 0.79 PIK3CA (0.72) PIK3CAPIK3R1MTORPIK3CDMAP3K12
SCHEMBL10328008 0.79 PIK3CA (0.52) PIK3CAPIK3R1MTORPIK3CGPIK3CD
SCHEMBL10328171 0.76 PIK3CA (0.57) PIK3CAPIK3R1MTORMAP3K12ALOX5AP
SCHEMBL10328077 0.76 PIK3CA (0.56) PIK3CAPIK3R1MTORMAP3K12ALOX5AP
SCHEMBL10328268 0.75 PIK3CA (0.54) PIK3CAPIK3R1MTORMAP3K12ALDH1A1

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 9 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
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 1/4885PIK3R1 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.