SCHEMBL2836906

SCHEMBL2836906

N#Cc1ccccc1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.54
CTSL P07711 4/20 0.41
TTK P33981 2/20 0.40
CTSK P43235 1/20 0.40
AURKA O14965 1/20 0.39
CTSB P07858 2/20 0.38
CTSS P25774 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
UCHL1 P09936 1/20 0.37
MAPK14 Q16539 2/20 0.37
CYP3A4 P08684 1/20 0.37
CNR1 P21554 1/20 0.36
MAPK11 Q15759 1/20 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
SCHEMBL2808193 0.87 BDKRB1 (0.47) BDKRB1CTSLCTSKCTSSUCHL1
SCHEMBL13128566 0.87 BDKRB1 (0.47) BDKRB1CTSLCTSKMEN1KMT2A
SCHEMBL13128434 0.87 BDKRB1 (0.47) BDKRB1CTSLCTSKCTSSUCHL1
SCHEMBL2805300 0.87 BDKRB1 (0.44) BDKRB1CTSLCTSKAURKACTSB
SCHEMBL2805761 0.85 BDKRB1 (0.49) BDKRB1CTSLCTSKCTSBCTSS
SCHEMBL2806180 0.85 BDKRB1 (0.49) BDKRB1CTSLCTSKCTSBCTSS
SCHEMBL2811075 0.85 BDKRB1 (0.57) BDKRB1AURKAMEN1KMT2ATDP1
SCHEMBL2805903 0.85 BDKRB1 (0.63) BDKRB1CTSLCTSKMEN1KMT2A
SCHEMBL2809766 0.84 BDKRB1 (0.43) BDKRB1CTSLTTKCTSKAURKA
SCHEMBL2809041 0.83 BDKRB1 (0.47) BDKRB1

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 289/4885CTSL 1731/4885TTK 4588/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CTSL 1731/4885TTK 4588/4885

“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.