SCHEMBL1725936

SCHEMBL1725936

CCOC(=O)c1cc2nc(Nc3cc(CN)ccc3Cl)[nH]c2cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 2/20 0.36
ABL1 P00519 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
HPGD P15428 1/20 0.36
DGAT1 O75907 1/20 0.36
METTL3 Q86U44 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 1/20 0.35
RAF1 P04049 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL16199734 0.93 CYP4F2 (0.39) CYP4F2CYP4A11MAPTTDP1ALOX15
SCHEMBL3100899 0.86 PTGES (0.43) CYP4F2CYP4A11
SCHEMBL3106620 0.84 TSHR (0.41) CYP4F2CYP4A11MAPTTDP1DGAT1
SCHEMBL1671454 0.73 CYP4F2 (0.73) CYP4F2CYP4A11METTL3CA1CA2
SCHEMBL1725058 0.73 PTGES (0.40) MAPTSIRT2SIRT1SIRT3KMT2A
SCHEMBL1727300 0.72 PTGES (0.46)
SCHEMBL3099526 0.71 PTGES (0.58)
SCHEMBL1966839 0.70 PTGES (0.40) MAPTABL1HDAC11METTL3KMT2A
SCHEMBL1967114 0.70 HDAC11 (0.42) MAPTTDP1ABL1HDAC11METTL3
SCHEMBL1725938 0.70 CDK5 (0.32) MAPT

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 13 patents. 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
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
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
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
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 (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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CYP4F2 1677/4885CYP4A11 970/4885MAPT 4403/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CYP4F2 1677/4885CYP4A11 970/4885MAPT 4403/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX CYP4F2 1677/4885CYP4A11 970/4885MAPT 4403/4885

“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.