SCHEMBL13828615

SCHEMBL13828615

CCc1nc(-c2cccc(O)c2)nc(N2CCOCC2)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.61
MTOR P42345 8/20 0.57
PIK3CG P48736 7/20 0.57
PIK3CD O00329 4/20 0.57
PIK3CB P42338 4/20 0.56
PIK3C2B O00750 3/20 0.56
CCNE2 O96020 1/20 0.56
PRKACA P17612 1/20 0.56
PRKACG P22612 1/20 0.56
PRKACB P22694 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
KDR P35968 1/20 0.56
PIK3R1 P27986 2/20 0.52
PIK3C2A O00443 1/20 0.52
CHUK O15111 1/20 0.52
DAPK3 O43293 1/20 0.52
PIK3C2G O75747 1/20 0.52
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52

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
SCHEMBL13828786 0.86 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL13828796 0.86 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDPIK3R1
SCHEMBL13828878 0.84 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL13828589 0.81 ALDH1A1 (0.52) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL13828614 0.79 MTOR (0.56) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL13828677 0.79 ALDH1A1 (0.43) PIK3CAMTOR
SCHEMBL13828679 0.79 PIK3CA (0.57) PIK3CAMTORPIK3CGFLT3CLK4
SCHEMBL13828820 0.78 PIK3CA (0.64) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL13828794 0.77 PIK3CA (0.54) PIK3CAMTORPIK3CGPRKDC
SCHEMBL13572313 0.76 MTOR (0.62) PIK3CAMTORPIK3CGPIK3CDPIK3CB

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 2/4885MTOR 1/4885PIK3CG 9/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885MTOR 1/4885PIK3CG 9/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885MTOR 1/4885PIK3CG 9/4885

“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.