SCHEMBL186879

SCHEMBL186879

Cc1cc(Nc2ccccc2C(F)(F)F)cnc1CNC(=O)C1(NC(=O)c2cncc(N)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.44
DHODH Q02127 1/20 0.36
ALOX5 P09917 1/20 0.34
EPHX2 P34913 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NTRK1 P04629 1/20 0.33
EPHB2 P29323 1/20 0.33
DDR1 Q08345 1/20 0.33
DDR2 Q16832 1/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
CTSA P10619 1/20 0.33
SCD O00767 1/20 0.33
PLA2G1B P04054 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2805403 0.93 BDKRB1 (0.38) BDKRB1DHODHALOX5EPHX2MEN1
SCHEMBL185507 0.93 BDKRB1 (0.38) BDKRB1DHODHALOX5EPHX2MEN1
SCHEMBL14865313 0.92 BDKRB1 (0.40) BDKRB1DHODHEPHB2DDR1DDR2
SCHEMBL186010 0.90 BDKRB1 (0.39) BDKRB1DDR1CYP1A2CYP2C19
SCHEMBL2809208 0.88 BDKRB1 (0.40) BDKRB1DHODHMEN1KMT2ANTRK1
SCHEMBL2809999 0.85 BDKRB1 (0.36) BDKRB1DHODH
SCHEMBL185964 0.85 BDKRB1 (0.36) BDKRB1DHODH
SCHEMBL185798 0.84 BDKRB1 (0.37) BDKRB1ALOX5EPHX2ALDH1A1SCD
SCHEMBL2808496 0.84 BDKRB1 (0.37) BDKRB1ALOX5EPHX2ALDH1A1SCD
SCHEMBL2808176 0.84 BDKRB1 (0.36) BDKRB1ALOX5EPHX2ALDH1A1SCD

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 BDKRB1 289/4885DHODH 2925/4885ALOX5 2215/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885DHODH 2925/4885ALOX5 2215/4885

“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.