SCHEMBL13828673

SCHEMBL13828673

Cc1c(CN2CCN(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ncc23)nc1N1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.72
PIK3CB P42338 8/20 0.72
PIK3CD O00329 13/20 0.71
PIK3CG P48736 6/20 0.71
PIK3R1 P27986 5/20 0.71
KCNH2 Q12809 2/20 0.71
PIK3C2A O00443 1/20 0.71
PLK4 O00444 1/20 0.71
PIK3R2 O00459 1/20 0.71
PIK3C2B O00750 1/20 0.71
GAK O14976 1/20 0.71
EPHB6 O15197 1/20 0.71
DAPK3 O43293 1/20 0.71
STK16 O75716 1/20 0.71
PIK3C2G O75747 1/20 0.71
NTRK1 P04629 1/20 0.71
NQO2 P16083 1/20 0.71
CSNK2A2 P19784 1/20 0.71
JAK1 P23458 1/20 0.71
TYK2 P29597 1/20 0.71

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
SCHEMBL13828692 0.91 PIK3CA (0.62) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL13828689 0.89 PIK3CA (0.69) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL2184342 0.88 PIK3CA (0.67) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL190425 0.85 PIK3CA (0.74) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL189894 0.85 PIK3CA (0.73) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL13828542 0.84 PIK3CA (0.62) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL190021 0.84 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL190889 0.84 PIK3CA (0.79) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL1309749 0.83 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1
SCHEMBL1192254 0.83 PIK3CA (0.76) PIK3CAPIK3CBPIK3CDPIK3CGPIK3R1

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 2/4885PIK3CB 7/4885PIK3CD 5/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885PIK3CB 7/4885PIK3CD 5/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885PIK3CB 7/4885PIK3CD 5/4885

“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.