SCHEMBL4292369

SCHEMBL4292369

CC(C)(C)OC(=O)NCC1CCC(CNc2cc(NCc3ccccc3Cl)ncc2C(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.47
ACACA Q13085 8/20 0.47
VCP P55072 1/20 0.46
DRD2 P14416 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
JAK2 O60674 4/20 0.41
JAK1 P23458 4/20 0.41
TYK2 P29597 4/20 0.41
JAK3 P52333 4/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
DCLK1 O15075 1/20 0.40
MAP4K4 O95819 1/20 0.40
CDK1 P06493 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PIM1 P11309 1/20 0.40
CYP2C9 P11712 1/20 0.40
PRKACA P17612 1/20 0.40

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
SCHEMBL3988578 0.87 PRKCQ (0.50) ACACBACACAVCPDRD2CKS1B
SCHEMBL3986902 0.86 PRKCQ (0.52) VCPJAK2JAK1TYK2JAK3
SCHEMBL5281049 0.84 ACACB (0.42) ACACBACACAVCPDRD2CKS1B
SCHEMBL3984372 0.82 ACACB (0.44) ACACBACACAVCPDRD2CYP3A4
SCHEMBL3820652 0.80 PRKCQ (0.51) ACACBACACAVCPDRD2CKS1B
SCHEMBL3821024 0.77 PRKCQ (0.48) ACACBACACADRD2CKS1BSKP1
SCHEMBL13720173 0.77 PRKCQ (0.51) ACACBACACAVCPDRD2CKS1B
SCHEMBL13794230 0.77 PRKCQ (0.51) ACACBACACAVCPDRD2CKS1B
SCHEMBL13795088 0.75 PRKCQ (0.52) ACACBACACADRD2CKS1BSKP1
SCHEMBL30156977 0.75 ACACB (0.48) ACACBACACADRD2CKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866286-B1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-27 EP disclosed
EP-1866286-B1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMA (DE) 2009-05-27 EP disclosed
US-7468382-B2 Pyridine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-23 US disclosed
US-7468382-B2 Pyridine derivatives useful as inhibitors of PKC-theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-23 US disclosed
EP-1866286-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-12-19 EP disclosed
WO-2006105023-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 WO disclosed
US-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 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 (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-20060217417-A1 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA PRKCQ, PRKCH, PRKCZ ACACB 1724/4885ACACA 1882/4885VCP 3029/4885

“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.