SCHEMBL2378926

SCHEMBL2378926

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.56
F13A1 P00488 9/20 0.56
TGM1 P22735 6/20 0.54
PKM P14618 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR119 Q8TDV5 3/20 0.48

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
SCHEMBL31165481 1.00 TGM2 (0.56) TGM2F13A1TGM1PKMKMT2A
SCHEMBL14490217 0.96 TGM2 (0.53) TGM2F13A1TGM1PKMKMT2A
SCHEMBL2376710 0.87 ABL1 (0.59) TGM2F13A1TGM1KMT2AMEN1
SCHEMBL5436795 0.86 TGM2 (0.54) TGM2F13A1TGM1PKMGPR119
SCHEMBL5440864 0.83 TGM2 (0.57) TGM2F13A1TGM1PKMKMT2A
SCHEMBL14490221 0.83 ABL1 (0.55) TGM2F13A1TGM1PKMKMT2A
SCHEMBL18498875 0.83 TGM2 (0.53) TGM2F13A1TGM1MAPTGPR119
SCHEMBL6939462 0.83 CYP3A4 (0.62) TGM2F13A1TGM1PKMKMT2A
SCHEMBL23620929 0.83 TGM2 (0.62) TGM2F13A1TGM1PKMGPR119
SCHEMBL30307817 0.83 TGM2 (0.62) TGM2F13A1TGM1PKMGPR119

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 6 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
CN-101501035-B Pyrimidine derivatives as PI3K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD 2013-01-23 CN 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
CN-101501035-A Pyrimidine derivatives as P13K inhibitors and uses thereof CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-08-05 CN 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 TGM2 4003/4885F13A1 2857/4885TGM1 2552/4885

“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.