SCHEMBL186249

SCHEMBL186249

CCCNc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Br)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.36
CNR2 P34972 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
HCAR3 P49019 3/20 0.36
PTK2 Q05397 3/20 0.34
ALDH1A1 P00352 1/20 0.33
BDKRB1 P46663 1/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.31
CXCR1 P25024 1/20 0.31

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
SCHEMBL186671 0.94 CNR2 (0.37) BRAFCNR2PRKAB2PRKAG1PRKAA2
SCHEMBL185751 0.91 BRAF (0.39) BRAFCNR2HCAR3PTK2ALDH1A1
SCHEMBL185691 0.91 CNR2 (0.38) BRAFCNR2PTK2ALDH1A1BDKRB1
SCHEMBL185963 0.89 FPR2 (0.39) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL186154 0.88 CNR2 (0.37) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL186861 0.87 CNR2 (0.37) BRAFCNR2PTK2BDKRB1CTSL
SCHEMBL13128577 0.87 CNR2 (0.36) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL2805326 0.87 CNR2 (0.37) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL186380 0.87 BDKRB1 (0.37) CNR2PTK2BDKRB1CTSLCTSB
SCHEMBL2806916 0.86 CNR2 (0.37) CNR2PTK2BDKRB1CTSLCTSB

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 10 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 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
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 BRAF 3144/4885CNR2 882/4885PRKAB2 2870/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BRAF 3144/4885CNR2 882/4885PRKAB2 2870/4885

“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.