SCHEMBL4547804

SCHEMBL4547804

CC(C)(C)n1c(=O)c2cncnc2n(C(C)(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.34
CYP1A2 P05177 11/20 0.33
CYP3A4 P08684 10/20 0.33
CYP2C9 P11712 8/20 0.33
ALDH1A1 P00352 7/20 0.33
CYP2C19 P33261 5/20 0.33
HSD17B10 Q99714 6/20 0.33
TSHR P16473 5/20 0.33
CLK4 Q9HAZ1 3/20 0.33
USP2 O75604 4/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL22016243 0.87 GRM4 (0.42) GRM4CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL4547805 0.73 FEN1 (0.50) GRM4CYP1A2CYP2C9ALDH1A1CYP2C19
SCHEMBL19775276 0.72
SCHEMBL22017504 0.71 GRM4 (0.40) GRM4CYP3A4ALDH1A1TSHRLMNA
SCHEMBL3894441 0.70 MAPT (0.50) GRM4CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL4547797 0.70 ADORA3 (0.36) GRM4
SCHEMBL16376923 0.70
SCHEMBL23471442 0.69 CYP1A2 (0.40) GRM4CYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL24312321 0.68 HPD (0.33) CYP1A2CYP3A4ALDH1A1HSD17B10TSHR
SCHEMBL4547803 0.67 TNF (0.33) 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 3 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
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 GRM4 4741/4885CYP1A2 1008/4885CYP3A4 1308/4885

“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.