SCHEMBL13828754

SCHEMBL13828754

COc1cccc(-c2nc(Cl)c(C)c(N3CCOCC3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.56
CYP1A2 P05177 6/20 0.52
CYP3A4 P08684 6/20 0.52
TSHR P16473 4/20 0.52
CYP2D6 P10635 4/20 0.52
CYP2C19 P33261 4/20 0.52
MAPK1 P28482 3/20 0.52
USP2 O75604 3/20 0.52
CLK4 Q9HAZ1 3/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
PIK3CD O00329 2/20 0.52
PIK3C2B O00750 2/20 0.52
PIK3CB P42338 1/20 0.52
PIK3CG P48736 1/20 0.52
CYP2C9 P11712 2/20 0.51
HSD17B10 Q99714 2/20 0.51

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
SCHEMBL13828760 0.86 LMNA (0.46) PIK3CACYP1A2CYP3A4TSHRLMNA
SCHEMBL2160718 0.86 MTOR (0.55) PIK3CACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL13828878 0.84 PIK3CA (0.63) PIK3CACLK4PIK3CDPIK3C2BPIK3CB
SCHEMBL1373862 0.83 GAA (0.63) PIK3CACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5753620 0.80 PIK3CA (0.61) PIK3CACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL1309698 0.79 CYP1A2 (0.67) PIK3CACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL22288063 0.79 PIK3CA (0.72) PIK3CACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL4128517 0.79 CYP1A2 (0.61) PIK3CACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL3555204 0.77 TRPM8 (0.58) PIK3CACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL2906137 0.77 MTOR (0.55) PIK3CACYP1A2CYP3A4TSHRCYP2D6

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 2/4885CYP1A2 2358/4885CYP3A4 2402/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885CYP1A2 2358/4885CYP3A4 2402/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS PIK3CA 2/4885CYP1A2 2358/4885CYP3A4 2402/4885

“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.