SCHEMBL4547803

SCHEMBL4547803

CC(C)(C)n1c(=O)c2nccnc2n(C(C)(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.33
GRM4 Q14833 1/20 0.31

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
SCHEMBL22016241 0.86 TNF (0.43) TNFGRM4
SCHEMBL4552885 0.82 TNF (0.40) TNF
SCHEMBL4547799 0.74 SMN1; SMN2 (0.39) GRM4
SCHEMBL22016242 0.68 GRM4 (0.44) GRM4
SCHEMBL22017499 0.68 LMNA (0.39)
SCHEMBL5465654 0.67 ALDH1A1 (0.59) TNFGRM4
SCHEMBL4547804 0.67 GRM4 (0.34) GRM4
SCHEMBL25468120 0.66 PI4KA (0.41)
SCHEMBL21676714 0.66 TNF (0.37) TNFGRM4
SCHEMBL22016238 0.65 FEN1 (0.63) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 US disclosed
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 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-20120108597-A1 Azaquinazolinediones Chymase Inhibitors CMA1, SERPINB1, CTSC TNF 3006/4885GRM4 4741/4885

“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.