SCHEMBL9900637

SCHEMBL9900637

N#Cc1c(N2CCCC(C(F)(F)F)C2)ccc(N)c1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 4/20 0.36
HTT P42858 1/20 0.36
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GRM2 Q14416 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL9899987 0.83 LMNA (0.43) MAP4K4HTTALDH1A1POLBGAA
SCHEMBL14217253 0.81 KDM4E (0.53) MAP4K4L3MBTL1TDP1KDM4EHTT
SCHEMBL9899663 0.77 MAP4K4 (0.40) MAP4K4KDM4EHTTTLR8ALDH1A1
SCHEMBL6610331 0.68 MAPT (0.49) MAP4K4L3MBTL1TDP1KDM4EHTT
SCHEMBL31556719 0.67 MAP4K4 (0.41) MAP4K4POLBGAAMEN1KMT2A
SCHEMBL12065802 0.66 MEN1 (0.45) L3MBTL1TDP1KDM4EHTTALDH1A1
SCHEMBL6232964 0.66 MAP4K4 (0.52) MAP4K4L3MBTL1KDM4EALDH1A1SCN9A
SCHEMBL23850786 0.65 HTT (0.47) KDM4EHTTALDH1A1GAALMNA
SCHEMBL22587540 0.65 MAP4K4 (0.48) MAP4K4L3MBTL1KDM4ETLR8TRPV3
SCHEMBL23850784 0.65 HTT (0.47) KDM4EHTTALDH1A1GAALMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MAP4K4 3489/4885L3MBTL1 3872/4885TDP1 1871/4885

“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.