SCHEMBL4477397

SCHEMBL4477397

CC(C)(C)OC(=O)NC1CCC(CNc2nc(Cl)ncc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.45
STK17A Q9UEE5 1/20 0.45
CRHR1 P34998 5/20 0.42
DRD2 P14416 5/20 0.41
DRD3 P35462 1/20 0.41
KMT2A Q03164 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
PBK Q96KB5 1/20 0.40
MERTK Q12866 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
BTK Q06187 2/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
JAK3 P52333 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
SCHEMBL13671918 1.00 STK17B (0.45) STK17BSTK17ACRHR1DRD2DRD3
SCHEMBL13793900 0.90 STK17B (0.52) STK17BSTK17ADRD2KMT2APBK
SCHEMBL4480928 0.90 STK17B (0.57) STK17BSTK17ACRHR1DRD2DRD3
SCHEMBL13671917 0.90 STK17B (0.57) STK17BSTK17ACRHR1DRD2DRD3
SCHEMBL13671985 0.88 STK17B (0.45) STK17BSTK17ACRHR1DRD2DRD3
SCHEMBL4475865 0.88 STK17B (0.45) STK17BSTK17ACRHR1DRD2DRD3
SCHEMBL30125365 0.88 STK17B (0.45) STK17BSTK17ACRHR1DRD2DRD3
SCHEMBL25691681 0.88 STK17B (0.45) STK17BSTK17ACRHR1DRD2DRD3
SCHEMBL4476061 0.84 PRKCQ (0.45) STK17BSTK17A
SCHEMBL13672022 0.84 PRKCQ (0.45) STK17BSTK17A

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 STK17B 591/4885STK17A 542/4885CRHR1 2602/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH STK17B 591/4885STK17A 542/4885CRHR1 2602/4885

“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.