SCHEMBL2695235

SCHEMBL2695235

CC[C@@H](CC(=O)O)n1c(=O)c2ccncc2n(Cc2cn(C)c3cccc(C)c23)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 20/20 1.00
HTR1D P28221 1/20 0.61
OPRK1 P41145 1/20 0.61
CTSG P08311 1/20 0.52

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
SCHEMBL2698106 1.00 CMA1 (1.00) CMA1HTR1DOPRK1CTSG
SCHEMBL2697917 0.93 CMA1 (1.00) CMA1HTR1DOPRK1CTSG
SCHEMBL3685924 0.90 CMA1 (0.81) CMA1HTR1DOPRK1CTSG
SCHEMBL3696639 0.90 CMA1 (0.81) CMA1HTR1DOPRK1CTSG
SCHEMBL3690020 0.90 CMA1 (0.81) CMA1HTR1DOPRK1CTSG
SCHEMBL2697945 0.85 CMA1 (1.00) CMA1HTR1DOPRK1CTSG
SCHEMBL2698405 0.85 CMA1 (1.00) CMA1HTR1DOPRK1CTSG
SCHEMBL1294665 0.84 CMA1 (0.72) CMA1HTR1DOPRK1CTSG
SCHEMBL2696994 0.83 CMA1 (1.00) CMA1CTSG
SCHEMBL3683312 0.83 CMA1 (0.76) CMA1HTR1DOPRK1CTSG

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 9 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-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 US disclosed
US-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 US disclosed
EP-2391624-B1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-01-16 EP 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
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
EP-2391624-A1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-12-07 EP disclosed
WO-2010088195-A1 AZAQUINAZOLINEDIONES USEFUL AS CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 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-20120108597-A1 Azaquinazolinediones Chymase Inhibitors CMA1, SERPINB1, CTSC CMA1 1/4885HTR1D 3120/4885OPRK1 4757/4885

“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.