SCHEMBL2408377

SCHEMBL2408377

O=C(O)c1nccn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 9/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
P2RY14 Q15391 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2409647 0.85 PDPK1 (0.46) PDPK1
SCHEMBL5051459 0.82 RAB9A (0.50) ALDH1A1TSHRL3MBTL1PTGDR2P2RY14
SCHEMBL29506741 0.82 RAB9A (0.50) ALDH1A1TSHRL3MBTL1PTGDR2P2RY14
SCHEMBL2281397 0.80 EGLN1 (0.58) ALDH1A1TSHREGLN1RAB9AMAPT
SCHEMBL2621619 0.76 SMN1; SMN2 (0.53) PDPK1ALDH1A1L3MBTL1RAB9ALMNA
SCHEMBL10400364 0.73 ALDH1A1 (0.42) ALDH1A1L3MBTL1PTGDR2RAB9ALMNA
SCHEMBL2406932 0.71 PDPK1 (0.53) PDPK1
SCHEMBL6168571 0.71 TBXAS1 (0.43) PDPK1ALDH1A1TSHRL3MBTL1P2RY14
SCHEMBL30670747 0.70 LMNA (0.58) LMNATP53MAPT
SCHEMBL26601211 0.70 LMNA (0.58) LMNATP53MAPT

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 22 patents — showing the first 20. 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-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8552019-B2 Inhibitors of phosphoinositide dependent kinase 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2013-10-08 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-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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
EP-2373636-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) Merck Sharp & Dohme Corp. (US) 2011-10-12 EP disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
WO-2010065384-A1 INHIBITORS OF PHOSPHOINOSITIDE DEPENDENT KINASE 1 (PDK1) MERCK SHARP & DOHME CORP. (US) 2010-06-10 WO disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 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-20110230500-A1 Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) PDK1, PDPK1, PDK3 PDPK1 2/4885ALDH1A1 2184/4885TSHR 2281/4885
US-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH PDPK1 4/4885ALDH1A1 816/4885TSHR 4425/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 PDPK1 2768/4885ALDH1A1 379/4885TSHR 2137/4885

“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.