SCHEMBL2808286

SCHEMBL2808286

CNc1ncc(C(=O)NC2(C(=O)NCc3ncc(Nc4c(F)cccc4C(F)(F)F)cc3F)CC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.36
JAK1 P23458 2/20 0.36
JAK3 P52333 2/20 0.36
HDAC3 O15379 6/20 0.35
HDAC1 Q13547 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC6 Q9UBN7 6/20 0.35
PTK2 Q05397 3/20 0.34
JAK2 O60674 1/20 0.34
VNN1 O95497 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.33
LCK P06239 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
EGFR P00533 1/20 0.33
BRAF P15056 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
SCHEMBL2810740 0.92 BDKRB1 (0.37) BDKRB1JAK1JAK3HDAC3HDAC1
SCHEMBL2805192 0.90 BDKRB1 (0.39) BDKRB1CNR1CNR2
SCHEMBL2806879 0.90 BDKRB1 (0.41) BDKRB1JAK1JAK3CNR1CNR2
SCHEMBL186700 0.89 BDKRB1 (0.42) BDKRB1JAK1JAK3PTK2JAK2
SCHEMBL14856726 0.89 FAAH (0.35) BDKRB1JAK1JAK3JAK2CNR1
SCHEMBL2806933 0.87 BDKRB1 (0.42) BDKRB1JAK1JAK3CNR1CNR2
SCHEMBL2807315 0.87 CNR1 (0.36) BDKRB1JAK1JAK3CNR1CNR2
SCHEMBL2807818 0.86 PTGS2 (0.39) BDKRB1JAK1JAK3JAK2CNR1
SCHEMBL2805268 0.86 BDKRB1 (0.35) BDKRB1JAK1JAK3CNR1CNR2
SCHEMBL2806537 0.86 P2RX7 (0.34) JAK1JAK3HDAC3HDAC1HDAC2

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 289/4885JAK1 936/4885JAK3 2297/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885JAK1 936/4885JAK3 2297/4885

“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.