SCHEMBL2809041

SCHEMBL2809041

N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.47
ABL1 P00519 9/20 0.39
NAMPT P43490 3/20 0.39
GCGR P47871 1/20 0.39
ACACB O00763 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL14857225 0.91 BDKRB1 (0.38) BDKRB1ABL1NAMPTGCGRACACB
SCHEMBL13160237 0.88 BDKRB1 (0.49) BDKRB1ABL1NAMPTTRPV1EPHX2
SCHEMBL13128434 0.87 BDKRB1 (0.47) BDKRB1NAMPT
SCHEMBL13128566 0.85 BDKRB1 (0.47) BDKRB1NAMPT
SCHEMBL2836906 0.83 BDKRB1 (0.54) BDKRB1
SCHEMBL2808193 0.82 BDKRB1 (0.47) BDKRB1NAMPT
SCHEMBL12262778 0.81 BDKRB1 (0.58) BDKRB1ABL1NAMPTTRPV1EPHX2
SCHEMBL2809100 0.80 AKT2 (0.44) NAMPTGCGRACACBTRPV1EPHX2
SCHEMBL2798108 0.79 TRPV1 (0.40) NAMPTGCGRACACBTRPV1EPHX2
SCHEMBL13128516 0.78 BDKRB1 (0.48) BDKRB1ABL1NAMPTACACBEPHX2

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 6 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

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 289/4885ABL1 1451/4885NAMPT 3026/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885ABL1 1451/4885NAMPT 3026/4885

“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.