SCHEMBL2621683

SCHEMBL2621683

C#CCNC(=O)c1cccn([C@@H](CO)c2ccccc2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 15/20 0.55
▸ AXL P30530 1/20 0.45
▸ MERTK Q12866 1/20 0.45
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41

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
SCHEMBL19723168 1.00 PDPK1 (0.55) PDPK1AXLMERTKFNTAFNTB
SCHEMBL2621682 1.00 PDPK1 (0.55) PDPK1AXLMERTKFNTAFNTB
SCHEMBL12182677 0.90 PDPK1 (0.51) PDPK1AXLMERTKFNTAFNTB
SCHEMBL12183016 0.88 PDPK1 (0.45) PDPK1AXLMERTK
SCHEMBL19723197 0.87 PDPK1 (0.54) PDPK1
SCHEMBL2621684 0.87 PDPK1 (0.54) PDPK1
SCHEMBL2621713 0.86 PDPK1 (0.49) PDPK1
SCHEMBL19723194 0.86 PDPK1 (0.51) PDPK1FNTAFNTBBRD4KDM5B
SCHEMBL2621681 0.86 PDPK1 (0.51) PDPK1FNTAFNTBBRD4KDM5B
SCHEMBL2621680 0.86 PDPK1 (0.51) PDPK1FNTAFNTBBRD4KDM5B

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 11 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
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 1873/4885AXL 4582/4885MERTK 3938/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 PDPK1 2768/4885AXL 4264/4885MERTK 4120/4885

“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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