SCHEMBL2631930

SCHEMBL2631930

C#CCNC(=O)c1cc(C)nn([C@@H](C#N)c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.43
▸ KDM5B Q9UGL1 1/20 0.42
▸ FNTA P49354 6/20 0.39
▸ FNTB P49356 6/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ PDPK1 O15530 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL19723198 1.00 RIPK1 (0.43) RIPK1KDM5BFNTAFNTBALOX15
SCHEMBL2632154 1.00 RIPK1 (0.43) RIPK1KDM5BFNTAFNTBALOX15
SCHEMBL2621697 0.83 RIPK1 (0.43) RIPK1KDM5BFNTAFNTBALOX15
SCHEMBL2621696 0.83 RIPK1 (0.43) RIPK1KDM5BFNTAFNTBALOX15
SCHEMBL2631921 0.83 L3MBTL1 (0.38) ALOX15ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL19723110 0.83 L3MBTL1 (0.38) ALOX15ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL2631897 0.83 L3MBTL1 (0.38) ALOX15ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL2621695 0.76 PDPK1 (0.46) RIPK1KDM5BMAPTPDPK1
SCHEMBL2621694 0.76 PDPK1 (0.46) RIPK1KDM5BMAPTPDPK1
SCHEMBL12285714 0.76 PDPK1 (0.46) RIPK1KDM5BMAPTPDPK1

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 RIPK1 4681/4885KDM5B 827/4885FNTA 2594/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 RIPK1 4822/4885KDM5B 553/4885FNTA 3734/4885

“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.

Send feedback