SCHEMBL13828679

SCHEMBL13828679

CCc1nc(-c2ccc3c(c2)OCO3)nc(N2CCOCC2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.57
PIK3CG P48736 2/20 0.57
MTOR P42345 2/20 0.57
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
USP2 O75604 2/20 0.48
CYP2C19 P33261 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.46
GAA P10253 2/20 0.45
HDAC1 Q13547 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 2/20 0.41
HIF1A Q16665 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
SCHEMBL13828729 0.85 MTOR (0.52) PIK3CAPIK3CGMTOR
SCHEMBL13828614 0.80 MTOR (0.56) PIK3CAPIK3CGMTORALDH1A1GAA
SCHEMBL13828796 0.80 PIK3CA (0.53) PIK3CAPIK3CGMTORALDH1A1CYP1A2
SCHEMBL13828615 0.79 PIK3CA (0.61) PIK3CAPIK3CGMTORCLK4FLT3
SCHEMBL13828786 0.79 PIK3CA (0.57) PIK3CAPIK3CGMTORGAA
SCHEMBL13828794 0.78 PIK3CA (0.54) PIK3CAPIK3CGMTOR
SCHEMBL13828677 0.78 ALDH1A1 (0.43) PIK3CAMTORALDH1A1CYP1A2HSD17B10
SCHEMBL13828608 0.78 ALDH1A1 (0.52) MTORALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13828589 0.78 ALDH1A1 (0.52) PIK3CAPIK3CGMTORALDH1A1CYP1A2
SCHEMBL13828696 0.76 PIK3CA (0.59) PIK3CAPIK3CGMTORALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2012-11-15 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 (3 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-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885PIK3CG 9/4885MTOR 1/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885PIK3CG 9/4885MTOR 1/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885PIK3CG 9/4885MTOR 1/4885

“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.