SCHEMBL2378110

SCHEMBL2378110

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4c3ccc(C(=O)NCCc4cccnc4)cc3F)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.49
PIK3R1 P27986 4/20 0.43
KDM4E B2RXH2 1/20 0.40
PTAFR P25105 1/20 0.40
PIK3CD O00329 1/20 0.40
NAMPT P43490 1/20 0.40
PIK3CB P42338 1/20 0.39
KMT2A Q03164 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
SCHEMBL2377074 0.95 PIK3CA (0.50) PIK3CAPIK3R1PIK3CB
SCHEMBL2378311 0.94 PIK3CA (0.43) PIK3CAPIK3R1KDM4EPTAFRPIK3CD
SCHEMBL2376863 0.94 PIK3CA (0.43) PIK3CAPIK3R1KDM4EPTAFRPIK3CD
SCHEMBL2378152 0.92 PIK3CA (0.48) PIK3CAPIK3R1KDM4E
SCHEMBL2377984 0.91 PIK3CA (0.49) PIK3CAPIK3R1NAMPTPIK3CB
SCHEMBL2376855 0.89 PIK3CA (0.51) PIK3CAPIK3R1PIK3CB
SCHEMBL2379013 0.89 PIK3CA (0.52) PIK3CAPIK3R1PIK3CB
SCHEMBL2379503 0.89 MAPT (0.44) PIK3CAPIK3R1
SCHEMBL2377143 0.89 MAPT (0.44) PIK3CAPIK3R1
SCHEMBL2378623 0.88 PIK3CA (0.58) PIK3CAPIK3R1KDM4EPIK3CB

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 5/4885KDM4E 2852/4885

“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.