SCHEMBL8739236

SCHEMBL8739236

CCOC(=O)Cn1nc(Cc2cn(C)c3ccc(OC)cc23)c2ccccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 5/20 0.61
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ GAA P10253 3/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SLC6A4 P31645 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7959611 0.89 CMA1 (0.77) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7962204 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL1847165 0.81 CMA1 (0.80) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24076242 0.80 CYP2C19 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL7951727 0.76 CMA1 (1.00) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7963507 0.76 CMA1 (0.73) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24076900 0.75 CYP1A2 (0.77) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL6585495 0.73 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL7963792 0.73 CYP1A2 (0.68) CMA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL18900854 0.73 CMA1 (0.76) CMA1RECQLMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — 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-20120129863-A1 CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 CMA1 1/4885CYP1A2 2423/4885CYP3A4 2760/4885

“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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