SCHEMBL2376682

SCHEMBL2376682

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3cccc(S(=O)(=O)N4CCOCC4)c3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.50
PIK3R1 P27986 2/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL2378609 0.96 PIK3CA (0.53) PIK3CAPIK3R1MTOR
SCHEMBL2378707 0.95 PIK3CA (0.47) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL3831686 0.94 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2379576 0.93 PIK3CA (0.47) PIK3CAPIK3R1PIK3CBMTOR
SCHEMBL2377527 0.92 PIK3CA (0.48) PIK3CAPIK3R1PIK3CDPIK3C2BPIK3CB
SCHEMBL2375991 0.92 PIK3CA (0.53) PIK3CAPIK3R1ALDH1A1PIK3CDPIK3C2B
SCHEMBL2376491 0.91 PIK3CA (0.47) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL2375691 0.89 PIK3CA (0.53) PIK3CAPIK3R1ALDH1A1PIK3CDPIK3C2B
SCHEMBL2379290 0.89 PIK3CA (0.46) PIK3CAPIK3R1ALDH1A1PIK3CDPIK3C2B
SCHEMBL2378295 0.88 PIK3CA (0.48) PIK3CAPIK3R1

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 5/4885ALDH1A1 2102/4885

“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.