SCHEMBL4479752

SCHEMBL4479752

COC(=O)C1CCC(NC(=O)OC(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
KDM1A O60341 2/20 0.34
MAOB P27338 2/20 0.33
GAA P10253 2/20 0.33
HSD11B1 P28845 2/20 0.32
CYP2C9 P11712 1/20 0.32
CTSK P43235 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL4479750 1.00 BTK (0.39) BTKKDM1AMAOBGAAHSD11B1
SCHEMBL30473133 1.00 BTK (0.39) BTKKDM1AMAOBGAAHSD11B1
SCHEMBL30473209 0.89 BTK (0.51) BTKKDM1AMAOBGAAHSD11B1
SCHEMBL30473142 0.85 BTK (0.35) BTKKDM1AMAOBGAAMAOA
SCHEMBL30473183 0.85 BTK (0.35) BTKKDM1AMAOBGAAMAOA
SCHEMBL3568891 0.84 BTK (0.43) BTKKDM1AMAOBGAAHSD11B1
SCHEMBL30926268 0.84 BTK (0.38) BTKKDM1AMAOBGAAHSD11B1
SCHEMBL30926206 0.84 BTK (0.38) BTKKDM1AMAOBGAAHSD11B1
SCHEMBL18588966 0.84 BTK (0.38) BTKKDM1AMAOBGAAHSD11B1
SCHEMBL31601203 0.82 BTK (0.37) BTKKDM1AMAOBGAAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601714-B2 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BARBOSA ANTONIO J M 2008-11-20 US disclosed
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US 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 (2 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-20080287410-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCZ, PRKCQ, PRKCH BTK 230/4885KDM1A 2571/4885MAOB 1550/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH BTK 230/4885KDM1A 2571/4885MAOB 1550/4885

“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.