SCHEMBL2379226

SCHEMBL2379226

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)N(C)CCc3ccccc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.54
PIK3R1 P27986 14/20 0.54
USP2 O75604 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PIK3CB P42338 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3C2B O00750 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL2378223 0.94 PIK3CA (0.57) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2377609 0.90 PIK3CA (0.52) PIK3CAPIK3R1MEN1KMT2AMTOR
SCHEMBL2377687 0.88 PIK3CA (0.52) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2375948 0.87 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2377236 0.86 PIK3CA (0.50) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2379788 0.86 PIK3CA (0.67) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2378352 0.85 PIK3CA (0.49) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2377850 0.85 PIK3CA (0.49) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2378360 0.84 PIK3CA (0.48) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B
SCHEMBL2375279 0.84 PIK3CA (0.75) PIK3CAPIK3R1PIK3CBPIK3CDPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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 (1 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 PIK3CA 1/4885PIK3R1 5/4885USP2 3578/4885

“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.