SCHEMBL2621695

SCHEMBL2621695

C#CCNC(=O)c1cc(C)nn([C@H](C)c2ccc(F)cc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 2/20 0.46
▸ FPR1 P21462 2/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ SLC2A2 P11168 1/20 0.36
▸ SLC2A3 P11169 1/20 0.36
▸ SLC2A4 P14672 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ CNR1 P21554 3/20 0.35
▸ CNR2 P34972 3/20 0.35
▸ PDE10A Q9Y233 3/20 0.35
▸ SCD O00767 1/20 0.35
▸ MAPT P10636 2/20 0.35

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
SCHEMBL2621694 1.00 PDPK1 (0.46) PDPK1FPR1RIPK1KDM5BSLC2A1
SCHEMBL12285714 1.00 PDPK1 (0.46) PDPK1FPR1RIPK1KDM5BSLC2A1
SCHEMBL12285043 0.83 SCD (0.38) PDPK1KDM5BKCNK3PDE10ASCD
SCHEMBL2621693 0.83 SCD (0.38) PDPK1KDM5BKCNK3PDE10ASCD
SCHEMBL2621692 0.83 SCD (0.38) PDPK1KDM5BKCNK3PDE10ASCD
SCHEMBL2621650 0.81 PPARA (0.45) PDPK1FPR1KDM5BSLC2A1SLC2A2
SCHEMBL12285494 0.81 PPARA (0.45) PDPK1FPR1KDM5BSLC2A1SLC2A2
SCHEMBL2621651 0.81 PPARA (0.45) PDPK1FPR1KDM5BSLC2A1SLC2A2
SCHEMBL2621697 0.76 RIPK1 (0.43) PDPK1RIPK1KDM5BMAPT
SCHEMBL19723198 0.76 RIPK1 (0.43) PDPK1RIPK1KDM5BMAPT

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 10 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-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-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-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
US-20120094976-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 — — US disclosed
WO-2011144622-A1 1H - IMIDAZO [4, 5 - C] QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — 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 PDPK1 1873/4885FPR1 1299/4885RIPK1 4681/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 PDPK1 2768/4885FPR1 2978/4885RIPK1 4822/4885

“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