SCHEMBL13828562

SCHEMBL13828562

CCOc1c(CN2CCN(CC)CC2)nc(-c2cccc(O)c2)nc1N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.59
PIK3CA P42336 19/20 0.54
PIK3CG P48736 9/20 0.51
PIK3CD O00329 4/20 0.51
PIK3CB P42338 4/20 0.51
PIK3C2B O00750 3/20 0.49
PIK3C2A O00443 1/20 0.49
CHUK O15111 1/20 0.49
DAPK3 O43293 1/20 0.49
PIK3C2G O75747 1/20 0.49
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49
CSNK2A2 P19784 1/20 0.49
JAK1 P23458 1/20 0.49
PIK3R1 P27986 1/20 0.49
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49
CLK1 P49759 1/20 0.49
CLK2 P49760 1/20 0.49
CLK3 P49761 1/20 0.49

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
SCHEMBL2148676 0.90 PIK3CA (0.65) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL18142959 0.80 MTOR (0.56) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL13718684 0.79 MTOR (0.67) MTOR
SCHEMBL958760 0.78 PIK3CA (0.86) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL2154589 0.77 MTOR (0.68) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL17255579 0.76 PIK3CA (0.83) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL13719022 0.76 MTOR (0.61) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL13828615 0.76 PIK3CA (0.61) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL2154773 0.74 MTOR (1.00) MTOR
SCHEMBL2153656 0.74 MTOR (0.66) MTORPIK3CA

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