SCHEMBL2631903

SCHEMBL2631903

C#CCNC(=O)c1cc(NCCN(C)C)nn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 20/20 0.64

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
SCHEMBL2632042 0.91 PDPK1 (0.55) PDPK1
SCHEMBL19723059 0.85 PDPK1 (0.57) PDPK1
SCHEMBL2621691 0.82 PDPK1 (0.50) PDPK1
SCHEMBL2621702 0.81 PDPK1 (0.60) PDPK1
SCHEMBL2632029 0.79 PDPK1 (0.81) PDPK1
SCHEMBL2621698 0.79 PDPK1 (0.61) PDPK1
SCHEMBL12285915 0.79 PDPK1 (1.00) PDPK1
SCHEMBL2621699 0.78 PDPK1 (0.58) PDPK1
SCHEMBL2621690 0.77 PDPK1 (0.53) PDPK1
SCHEMBL2621659 0.76 PDPK1 (0.49) 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 7 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-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 (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 1873/4885
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.

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