SCHEMBL2809358

SCHEMBL2809358

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.40
CNR2 P34972 1/20 0.38
FPR2 P25090 2/20 0.35
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
PTK2 Q05397 2/20 0.33
EGFR P00533 2/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
NAMPT P43490 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 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
SCHEMBL2809676 0.92 CNR2 (0.35) BDKRB1CNR2FPR2PTK2
SCHEMBL2805859 0.92 BDKRB1 (0.41) BDKRB1CNR2HDAC3HDAC1HDAC2
SCHEMBL2807300 0.91 BDKRB1 (0.39) BDKRB1CNR2FPR2CTSLCTSB
SCHEMBL2805326 0.91 CNR2 (0.37) BDKRB1CNR2FPR2CTSLCTSB
SCHEMBL2806522 0.91 BDKRB1 (0.41) BDKRB1BRAFNAMPT
SCHEMBL2809621 0.91 BDKRB1 (0.39) BDKRB1CNR2CTSLCTSBCTSS
SCHEMBL13160124 0.90 BDKRB1 (0.40) BDKRB1CNR2CTSLCTSSPTK2
SCHEMBL2809229 0.90 BDKRB1 (0.41) BDKRB1CNR2EGFRBRAFNAMPT
SCHEMBL184922 0.90 BDKRB1 (0.40) BDKRB1CNR2EGFRBRAFNAMPT
SCHEMBL2808761 0.90 BDKRB1 (0.40) BDKRB1CNR2CTSLRAB9A

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 289/4885CNR2 882/4885FPR2 846/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885CNR2 882/4885FPR2 846/4885

“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.