SCHEMBL2806522

SCHEMBL2806522

O=C(NC1(C(=O)NCc2ccc(Nc3ccc(C(F)(F)F)cc3C(F)(F)F)cn2)CC1)c1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.41
BRAF P15056 1/20 0.36
PSMB11 A5LHX3 2/20 0.36
PSMA7 O14818 2/20 0.36
PSMB1 P20618 2/20 0.36
PSMA1 P25786 2/20 0.36
PSMA2 P25787 2/20 0.36
PSMA3 P25788 2/20 0.36
PSMA4 P25789 2/20 0.36
PSMB8 P28062 2/20 0.36
PSMB9 P28065 2/20 0.36
PSMA5 P28066 2/20 0.36
PSMB4 P28070 2/20 0.36
PSMB6 P28072 2/20 0.36
PSMB5 P28074 2/20 0.36
PSMB10 P40306 2/20 0.36
PSMB3 P49720 2/20 0.36
PSMB2 P49721 2/20 0.36
PSMA6 P60900 2/20 0.36
PSMA8 Q8TAA3 2/20 0.36

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
SCHEMBL2805859 0.92 BDKRB1 (0.41) BDKRB1TRPA1
SCHEMBL13160124 0.91 BDKRB1 (0.40) BDKRB1BRAFBACE1NAMPT
SCHEMBL2809229 0.91 BDKRB1 (0.41) BDKRB1BRAFLCKKITSRC
SCHEMBL2809358 0.91 BDKRB1 (0.40) BDKRB1BRAFNAMPT
SCHEMBL2808761 0.91 BDKRB1 (0.40) BDKRB1TRPV1
SCHEMBL184922 0.91 BDKRB1 (0.40) BDKRB1BRAFTRPA1NAMPTVNN1
SCHEMBL13128618 0.90 BDKRB1 (0.39) BDKRB1BRAFKITNAMPTVNN1
SCHEMBL2806425 0.89 BDKRB1 (0.45) BDKRB1TRPV1
SCHEMBL2808448 0.89 BDKRB1 (0.47) BDKRB1BRAFTRPA1
SCHEMBL2809443 0.89 BDKRB1 (0.41) BDKRB1BRAFPSMB11PSMA7PSMB1

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885BRAF 3144/4885PSMB11 1532/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885BRAF 3144/4885PSMB11 1532/4885

“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.