SCHEMBL1725234

SCHEMBL1725234

CC(C)(C)OC(=O)Nc1cc(C#N)ccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ EGLN2 Q96KS0 2/20 0.44
▸ PDK1 Q15118 2/20 0.43
▸ PDK2 Q15119 2/20 0.43
▸ PDK3 Q15120 2/20 0.43
▸ PDK4 Q16654 2/20 0.43
▸ AR P10275 5/20 0.43
▸ AAK1 Q2M2I8 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ SLC22A12 Q96S37 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
SCHEMBL29957472 0.83 EGLN2 (0.43) EGLN2PDK1PDK2PDK3PDK4
SCHEMBL1008798 0.83 EGLN2 (0.43) EGLN2PDK1PDK2PDK3PDK4
SCHEMBL14738332 0.82 EGLN2 (0.45) LMNAPOLBEGLN2PDK1PDK2
SCHEMBL29582812 0.81 EGLN2 (0.53) EGLN2PDK1PDK2PDK3PDK4
SCHEMBL6615734 0.81 EGLN2 (0.44) EGLN2PDK1PDK2PDK3PDK4
SCHEMBL25859985 0.81 EGLN2 (0.44) LMNAEGLN2PDK1PDK2PDK3
SCHEMBL1727024 0.80 TRPV4 (0.44) PDK1PDK2PDK3PDK4AR
SCHEMBL29945049 0.80 EGLN2 (0.45) POLBEGLN2PDK1PDK2PDK3
SCHEMBL30392162 0.79 CACNA1H (0.43) LMNAPOLBEGLN2ARAAK1
SCHEMBL639922 0.78 EGLN2 (0.45) EGLN2PDK1PDK2PDK3PDK4

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
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 — — US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 — — US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 — — EP disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 — — EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 — — EP disclosed
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 — — EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 — — US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 — — US disclosed
EP-2649052-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 — — EP disclosed
US-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 — — US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 — — US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — US disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 — — WO disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 — — WO disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 — — EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 — — US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 — — US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 — — WO disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 — — 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 (4 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES LMNA 2657/4885POLB 2124/4885EGLN2 1446/4885
US-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX LMNA 1740/4885POLB 2998/4885EGLN2 4449/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX LMNA 1740/4885POLB 2998/4885EGLN2 4449/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX LMNA 1740/4885POLB 2998/4885EGLN2 4449/4885

“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.

Send feedback