SCHEMBL2631897

SCHEMBL2631897

Cc1cc(C(=O)O)c(=O)n([C@H](C#N)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ GAA P10253 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TTR P02766 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL19723110 1.00 L3MBTL1 (0.38) L3MBTL1BRD4KDM4EGAAHSD17B10
SCHEMBL2631921 1.00 L3MBTL1 (0.38) L3MBTL1BRD4KDM4EGAAHSD17B10
SCHEMBL2631930 0.83 RIPK1 (0.43) KDM4EMAPTALOX15KMT2AALDH1A1
SCHEMBL19723198 0.83 RIPK1 (0.43) KDM4EMAPTALOX15KMT2AALDH1A1
SCHEMBL12285494 0.70 PPARA (0.45) BRD4GAAKMT2ALMNA
SCHEMBL2621651 0.70 PPARA (0.45) BRD4GAAKMT2ALMNA
SCHEMBL12986725 0.69 NTRK1 (0.55) L3MBTL1KDM4EGAATSHRALDH1A1
SCHEMBL14446920 0.66 SMN1; SMN2 (0.43) L3MBTL1KDM4EGAAHSD17B10KMT2A
SCHEMBL15279101 0.66 NOTUM (0.55) L3MBTL1KDM4EHSD17B10TSHRALDH1A1
SCHEMBL23780347 0.65 ALDH1A1 (0.41) L3MBTL1BRD4GAAHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560967-B1 Heterocyclic carboxylic acid amides as PDK1 inihibitors BOEHRINGER INGELHEIM INT (DE) 2017-12-20 — — EP disclosed
US-8895581-B2 1H-imidazo[4,5-c]quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 — — US disclosed
US-8575203-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-05 — — US disclosed
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-15 — — US disclosed
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
WO-2011131741-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDES AS PDK1 INIHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 — — 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 (2 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-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 L3MBTL1 2012/4885BRD4 777/4885KDM4E 911/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 L3MBTL1 1145/4885BRD4 266/4885KDM4E 737/4885

“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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