SCHEMBL2696601

SCHEMBL2696601

CC[C@@H](CC(=O)O)n1c(=O)c2ccncc2n(Cc2nsc3cc(C)cc(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
▸ CTSG P08311 1/20 0.52
▸ HTR1D P28221 1/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL2698378 1.00 CMA1 (1.00) CMA1CTSGHTR1DOPRK1
SCHEMBL2696609 1.00 CMA1 (1.00) CMA1CTSGHTR1DOPRK1
SCHEMBL2697718 0.94 CMA1 (1.00) CMA1CTSGHTR1DOPRK1
SCHEMBL2698181 0.94 CMA1 (1.00) CMA1CTSGHTR1DOPRK1
SCHEMBL2697724 0.94 CMA1 (1.00) CMA1CTSGHTR1DOPRK1
SCHEMBL4547809 0.90 CMA1 (0.87) CMA1CTSG
SCHEMBL3642378 0.89 CMA1 (0.81) CMA1CTSGHTR1DOPRK1
SCHEMBL3698662 0.89 CMA1 (0.81) CMA1CTSGHTR1DOPRK1
SCHEMBL3646016 0.89 CMA1 (0.81) CMA1CTSGHTR1DOPRK1
SCHEMBL2696599 0.84 CMA1 (1.00) CMA1CTSGHTR1DOPRK1

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 7 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

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 1/4885CTSG 37/4885HTR1D 3120/4885

“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.

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