SCHEMBL1314896

SCHEMBL1314896

Cn1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc1-c1ccc2[nH]c(-c3cccnc3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.72
DRD5 P21918 2/20 0.65
AURKA O14965 1/20 0.65
MMP2 P08253 1/20 0.65
MMP10 P09238 1/20 0.65
MMP9 P14780 1/20 0.65
PRKACA P17612 1/20 0.65
MAPKAPK2 P49137 1/20 0.65
MMP14 P50281 1/20 0.65
PRKAA1 Q13131 1/20 0.65

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
SCHEMBL7923040 0.92 MMP13 (0.79) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1313901 0.91 MMP13 (0.75) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1313352 0.90 MMP13 (0.76) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1312988 0.88 MMP13 (0.76) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1312858 0.87 MMP13 (0.72) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1314617 0.86 MMP13 (0.73) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1313879 0.85 MMP13 (0.71) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1313873 0.84 MMP13 (0.72) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1313634 0.84 MMP13 (1.00) MMP13DRD5AURKAMMP2MMP10
SCHEMBL1313009 0.83 MMP13 (0.71) MMP13DRD5AURKAMMP2MMP10

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
EP-2340243-B1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
EP-2340243-B1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2340243-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP disclosed
WO-2010045188-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO disclosed
WO-2010045188-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 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-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 MMP13 1/4885DRD5 3546/4885AURKA 3503/4885

“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.