SCHEMBL2377429

SCHEMBL2377429

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)N(C)Cc3cccc(C(=O)N4CCN(C)CC4)c3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.54
PIK3R1 P27986 8/20 0.48
AOC3 Q16853 1/20 0.39
PIK3CB P42338 1/20 0.39
RAB9A P51151 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2379669 0.94 PIK3CA (0.55) PIK3CAPIK3R1SMN1; SMN2
SCHEMBL2377537 0.90 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBTP53LMNA
SCHEMBL2378223 0.90 PIK3CA (0.57) PIK3CAPIK3R1PIK3CB
SCHEMBL2377609 0.89 PIK3CA (0.52) PIK3CAPIK3R1MEN1KMT2ASMN1; SMN2
SCHEMBL2375607 0.88 PIK3CA (0.70) PIK3CAPIK3R1PIK3CB
SCHEMBL2377886 0.87 PIK3CA (0.72) PIK3CAPIK3R1
SCHEMBL2377877 0.87 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBLMNA
SCHEMBL2376768 0.85 PIK3CA (0.49) PIK3CAPIK3R1PIK3CB
SCHEMBL2376909 0.84 PIK3CA (0.61) PIK3CAPIK3R1PIK3CB
SCHEMBL2377817 0.84 PIK3CA (0.68) PIK3CAPIK3R1PIK3CB

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 5/4885AOC3 4383/4885

“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.