SCHEMBL9905784

SCHEMBL9905784

COC[C@@H]1CCCN1c1cc2[nH]c(Nc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.44
MAP4K1 Q92918 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
TBK1 Q9UHD2 3/20 0.34
PDE5A O76074 3/20 0.33
MAP3K12 Q12852 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PRCP P42785 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL9905786 1.00 PTGES (0.44) PTGESMAP4K1CTNNB1TCF7L2TBK1
SCHEMBL9939882 0.92 PTGES (0.43) PTGESPDE5AHRH3
SCHEMBL14119839 0.92 PTGES (0.43) PTGESPDE5AHRH3
SCHEMBL9939895 0.89 PDE7B (0.35) PTGESMAP4K1CTNNB1TCF7L2PDE5A
SCHEMBL9939893 0.86 PTGES (0.58) PTGESMAP4K1
SCHEMBL9939816 0.83 PTGES (0.42) PTGESTBK1
SCHEMBL9939818 0.82 PTGES (0.44) PTGES
SCHEMBL9939985 0.82 PTGES (0.45) PTGESPRCPRORC
SCHEMBL9939820 0.81 PTGES (0.44) PTGESTBK1
SCHEMBL9939896 0.81 PTGES (0.42) PTGESTBK1

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 7 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-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

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 PTGES 3/4885MAP4K1 3290/4885CTNNB1 3060/4885

“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.