SCHEMBL4480928

SCHEMBL4480928

CC(C)(C)OC(=O)NC1CCC(CNc2nc(Cl)ncc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.57
STK17A Q9UEE5 1/20 0.57
DRD2 P14416 6/20 0.45
DRD3 P35462 2/20 0.44
CRHR1 P34998 5/20 0.43
BTK Q06187 2/20 0.41
PBK Q96KB5 1/20 0.41
MERTK Q12866 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
JAK3 P52333 1/20 0.39
KDM1A O60341 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
SCHEMBL13671917 1.00 STK17B (0.57) STK17BSTK17ADRD2DRD3CRHR1
SCHEMBL30125365 0.90 STK17B (0.45) STK17BSTK17ADRD2DRD3CRHR1
SCHEMBL25691681 0.90 STK17B (0.45) STK17BSTK17ADRD2DRD3CRHR1
SCHEMBL4477397 0.90 STK17B (0.45) STK17BSTK17ADRD2DRD3CRHR1
SCHEMBL13671918 0.90 STK17B (0.45) STK17BSTK17ADRD2DRD3CRHR1
SCHEMBL13671985 0.90 STK17B (0.45) STK17BSTK17ADRD2DRD3CRHR1
SCHEMBL4475865 0.90 STK17B (0.45) STK17BSTK17ADRD2DRD3CRHR1
SCHEMBL13672022 0.86 PRKCQ (0.45) STK17BSTK17A
SCHEMBL4476061 0.86 PRKCQ (0.45) STK17BSTK17A
SCHEMBL4476058 0.86 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 542/4885DRD2 2565/4885
US-20060025433-A1 Pyrimidine derivatives useful as inhibitors of PKC-theta PRKCZ, PRKCQ, PRKCH STK17B 591/4885STK17A 542/4885DRD2 2565/4885

“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.