SCHEMBL5099482

SCHEMBL5099482

CC(C)(C)OC(=O)NCC1CCC(CNc2nc(NCc3cccc(-c4cccc(CN)c4)c3)ncc2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.61
ACACB O00763 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
ACACA Q13085 1/20 0.51

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
SCHEMBL5099486 1.00 PRKCQ (0.61) PRKCQACACBCYP1A2CYP3A4CYP2C9
SCHEMBL13999430 0.90 PRKCQ (0.57) PRKCQCYP3A4CYP2C9
SCHEMBL4697483 0.89 PRKCQ (0.59) PRKCQ
SCHEMBL4697486 0.89 PRKCQ (0.59) PRKCQ
SCHEMBL5095837 0.88 PRKCQ (0.59) PRKCQ
SCHEMBL13999408 0.88 PRKCQ (0.59) PRKCQ
SCHEMBL5099328 0.86 PRKCQ (0.56) PRKCQ
SCHEMBL13999405 0.86 PRKCQ (0.56) PRKCQ
SCHEMBL5102978 0.86 PRKCQ (0.69) PRKCQCYP3A4CYP2C9
SCHEMBL5102981 0.86 PRKCQ (0.69) PRKCQCYP3A4CYP2C9

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 1 patent. 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

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 PRKCQ 1/4885ACACB 1694/4885CYP1A2 2025/4885

“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.