SCHEMBL2808193

SCHEMBL2808193

N#Cc1ccc(F)cc1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.47
CXCR4 P61073 1/20 0.42
PRKAA2 P54646 2/20 0.39
LRRK2 Q5S007 1/20 0.36
CNR1 P21554 1/20 0.36
AR P10275 1/20 0.36
CTSK P43235 3/20 0.35
CTSL P07711 2/20 0.35
CTSS P25774 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
UCHL1 P09936 1/20 0.35
NAMPT P43490 1/20 0.35
VNN1 O95497 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL13128434 0.93 BDKRB1 (0.47) BDKRB1CXCR4PRKAA2LRRK2CNR1
SCHEMBL202538 0.89 BDKRB1 (0.38) BDKRB1CXCR4PRKAA2LRRK2AR
SCHEMBL2836906 0.87 BDKRB1 (0.54) BDKRB1CNR1CTSKCTSLCTSS
SCHEMBL2805104 0.85 BDKRB1 (0.56) BDKRB1CXCR4CNR1ALDH1A1LMNA
SCHEMBL13128566 0.84 BDKRB1 (0.47) BDKRB1CNR1CTSKCTSLUCHL1
SCHEMBL764449 0.83 BDKRB1 (0.49) BDKRB1CXCR4
SCHEMBL13128425 0.83 BDKRB1 (0.48) BDKRB1CXCR4CNR1ALDH1A1LMNA
SCHEMBL2805532 0.83 PRKAA2 (0.40) BDKRB1PRKAA2CTSKCTSLCTSS
SCHEMBL2805761 0.82 BDKRB1 (0.49) BDKRB1CXCR4PRKAA2LRRK2CNR1
SCHEMBL2806180 0.82 BDKRB1 (0.49) BDKRB1CXCR4PRKAA2LRRK2CNR1

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 289/4885CXCR4 1218/4885PRKAA2 3966/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CXCR4 1218/4885PRKAA2 3966/4885

“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.