SCHEMBL2621673

SCHEMBL2621673

C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 20/20 0.62

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
SCHEMBL2621710 0.85 PDPK1 (0.55) PDPK1
SCHEMBL16509759 0.83 PDPK1 (0.55) PDPK1
SCHEMBL2621677 0.83 PDPK1 (0.58) PDPK1
SCHEMBL2621642 0.81 PDPK1 (0.57) PDPK1
SCHEMBL2406932 0.81 PDPK1 (0.53) PDPK1
SCHEMBL1845730 0.79 PDPK1 (0.50) PDPK1
SCHEMBL1851683 0.78 PDPK1 (0.69) PDPK1
SCHEMBL2621690 0.77 PDPK1 (0.53) PDPK1
SCHEMBL16509794 0.77 PDPK1 (0.53) PDPK1
SCHEMBL10194248 0.77 PDPK1 (0.78) PDPK1

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 12 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
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2011144622-A1 1H - IMIDAZO [4, 5 - C] QUINOLINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 WO 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 (3 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-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH PDPK1 4/4885
US-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 PDPK1 1873/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 PDPK1 2768/4885

“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.