SCHEMBL4751779

SCHEMBL4751779

CC(C)(C)OC(=O)NCC(=O)Nc1cccc(CNC(=O)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.49
EGFR P00533 2/20 0.46
RAF1 P04049 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
MAP2K1 Q02750 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
BRD4 O60885 2/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GLS O94925 3/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPFFR1 Q9GZQ6 1/20 0.42
NPFFR2 Q9Y5X5 1/20 0.42
MET P08581 1/20 0.42
CCKBR P32239 1/20 0.42

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
SCHEMBL10076184 0.83 MAPT (0.53) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL2551102 0.83 PDK1 (0.51) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL4695059 0.83 L3MBTL1 (0.48) PDK1PDK2PDK3PDK4HDAC3
SCHEMBL4699624 0.82 CA1 (0.51) AURKBEGFRRAF1KDRMAP2K2
SCHEMBL7478429 0.81 BRD4 (0.48) BRD4AURKARPS6KB1GLSPDK1
SCHEMBL27113148 0.80 CA1 (0.51) CA1CA2BRD4AURKARPS6KB1
SCHEMBL12818014 0.80 AURKB (0.69) AURKBHDAC3HDAC1HDAC2HDAC10
SCHEMBL29661791 0.80 AURKB (0.69) AURKBHDAC3HDAC1HDAC2HDAC10
SCHEMBL2248369 0.80 AURKA (0.41) CA1CA2BRD4AURKARPS6KB1
SCHEMBL3507808 0.78 BRD4 (0.53) CA1CA2BRD4AURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
US-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-25 US disclosed
EP-1966163-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA Boehringer Ingelheim International GmbH (DE) 2008-09-10 EP disclosed
WO-2007076247-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-05 WO 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-20080318929-A1 Pyrimidine Derivatives Useful as Inhibitors of Pkc-Theta PRKCQ, PRKCZ, PRKAR2B AURKB 1080/4885EGFR 3405/4885RAF1 181/4885

“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.