SCHEMBL2621656

SCHEMBL2621656

O=C(O)c1cc(Cl)nn(Cc2ccc(F)c(F)c2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 8/20 0.49
▸ P2RY14 Q15391 1/20 0.43
▸ PTGER4 P35408 3/20 0.43
▸ PTPN1 P18031 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38

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
SCHEMBL13534298 0.85 PDPK1 (0.51) PDPK1P2RY14
SCHEMBL12285503 0.85 P2RY14 (0.43) PDPK1P2RY14PTGER4PTPN1ALDH1A1
SCHEMBL2621644 0.85 P2RY14 (0.48) PDPK1P2RY14PTGER4ALDH1A1TSHR
SCHEMBL2631928 0.81 PDPK1 (0.52) PDPK1P2RY14PTGER4ALDH1A1TSHR
SCHEMBL2621702 0.81 PDPK1 (0.60) PDPK1P2RY14
SCHEMBL2621658 0.80 PDPK1 (0.50) PDPK1P2RY14PTGER4ALDH1A1TSHR
SCHEMBL2621647 0.79 KDM5A (0.44) PDPK1P2RY14PTGER4PTPN1ALDH1A1
SCHEMBL5584793 0.78 CNR2 (0.49) P2RY14
SCHEMBL12182679 0.76 PDPK1 (0.47) PDPK1P2RY14PTGER4PTGS1PTGS2
SCHEMBL1926887 0.75 PDE4A (0.45) PDPK1PTGER4

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 14 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
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
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-20110313156-A1 HETEROCYCLYL CARBONIC ACID AMIDES AS ANTIPROLIFERATIVE AGENTS, PDKL INHIBITORS PDK2, PDK4, CCNH PDPK1 4/4885P2RY14 3463/4885PTGER4 4820/4885
US-20120094976-A1 NEW CHEMICAL COMPOUNDS CCNB1, MKI67, CCNA1 PDPK1 1873/4885P2RY14 2572/4885PTGER4 1842/4885
US-20130210832-A1 1H-IMIDAZO[4,5-C]QUINOLINES MKI67, CCNA1, CCNB1 PDPK1 2768/4885P2RY14 2598/4885PTGER4 1845/4885

“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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