SCHEMBL2805903

SCHEMBL2805903

O=C(NC1(C(=O)NCc2ccc(Nc3ccccc3)cc2)CC1)c1cncnc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.63
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NAMPT P43490 4/20 0.42
CTSL P07711 1/20 0.42
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
CTSK P43235 1/20 0.41
CNR1 P21554 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL14865456 0.90 BDKRB1 (0.59) BDKRB1CYP2C9CYP3A4CYP2C19NAMPT
SCHEMBL2805104 0.90 BDKRB1 (0.56) BDKRB1CYP2C9CYP3A4CYP2C19NAMPT
SCHEMBL2811075 0.87 BDKRB1 (0.57) BDKRB1MAPK11MAPK14NAMPTCNR1
SCHEMBL13128626 0.87 BDKRB1 (0.61) BDKRB1CYP2C9CYP3A4CYP2C19NAMPT
SCHEMBL184989 0.86 BDKRB1 (0.50) BDKRB1CYP2C9CYP3A4CYP2C19NAMPT
SCHEMBL764413 0.85 BDKRB1 (0.64) BDKRB1MAPK11MAPK14CYP3A4NAMPT
SCHEMBL2836906 0.85 BDKRB1 (0.54) BDKRB1MAPK11MAPK14CYP3A4CTSL
SCHEMBL2805694 0.85 BDKRB1 (0.54) BDKRB1MAPK11MAPK14NAMPTCNR1
SCHEMBL2548562 0.84 BDKRB1 (0.62) BDKRB1MAPK11MAPK14CYP2C9CYP3A4
SCHEMBL2807548 0.84 BDKRB1 (0.53) BDKRB1CYP2C9CYP3A4CYP2C19NAMPT

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 289/4885MAPK11 1814/4885MAPK14 4129/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885MAPK11 1814/4885MAPK14 4129/4885

“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.