SCHEMBL9899784

SCHEMBL9899784

CNc1ccc(N2CCC(C(F)(F)F)CC2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 2/20 0.36
MAPT P10636 7/20 0.35
KMT2A Q03164 2/20 0.35
PRKCI P41743 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
RECQL P46063 1/20 0.34
PTK2B Q14289 1/20 0.34
DRD2 P14416 5/20 0.34
DRD3 P35462 5/20 0.34
KCNH2 Q12809 5/20 0.34

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
SCHEMBL15033699 0.84 ADRB1 (0.36) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9939965 0.80 MAPT (0.36) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL24140816 0.79 S100B (0.51) S100BMAPTKMT2APRKCIALDH1A1
SCHEMBL25187995 0.78 GAA (0.54) S100BMAPTKMT2AALDH1A1HPGD
SCHEMBL16181915 0.78 NR1H2 (0.36) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL9900229 0.78 MAPT (0.54) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL25042072 0.77 HRH3 (0.47) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL21485052 0.77 S100B (0.59) S100BMAPTKMT2APRKCIALDH1A1
SCHEMBL9899322 0.77 TRPV1 (0.33) MAPTKMT2AALDH1A1GAAMAPK1
SCHEMBL25042094 0.77 HRH3 (0.38) KCNH2NOTUMPDK2MAP4K4

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 11 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-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
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 S100B 1717/4885MAPT 4308/4885KMT2A 3417/4885

“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.