SCHEMBL2809935

SCHEMBL2809935

COc1ncc(C(=O)N[C@@]2(C(=O)NCc3ncc(Nc4c(F)cccc4C(F)(F)F)cc3Cl)CCOC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.38
MAPK7 Q13164 1/20 0.34
P2RX7 Q99572 1/20 0.34
RAF1 P04049 2/20 0.32
ROS1 P08922 1/20 0.32
ALK Q9UM73 1/20 0.32
PTGES O14684 1/20 0.32
CNR2 P34972 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL2806537 0.91 P2RX7 (0.34) P2RX7RAF1PTGESCNR2KCNH2
SCHEMBL14857218 0.91 MAPK7 (0.32) BDKRB1MAPK7P2RX7PTGESCNR2
SCHEMBL2805848 0.89 BDKRB1 (0.39) BDKRB1CNR2
SCHEMBL2807071 0.87 BDKRB1 (0.35) BDKRB1P2RX7RAF1PTGESCNR2
SCHEMBL185684 0.87 BDKRB1 (0.35) BDKRB1P2RX7RAF1PTGESCNR2
SCHEMBL185531 0.87 BDKRB1 (0.35) BDKRB1P2RX7RAF1PTGESCNR2
SCHEMBL2811807 0.87 BDKRB1 (0.35) BDKRB1P2RX7RAF1PTGESCNR2
SCHEMBL2805192 0.86 BDKRB1 (0.39) BDKRB1MAPK7CNR2KCNH2SCN5A
SCHEMBL2810139 0.85 BDKRB1 (0.36) BDKRB1P2RX7PTGESCNR2
SCHEMBL13128563 0.84 BDKRB1 (0.35) BDKRB1P2RX7RAF1CNR2

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 289/4885MAPK7 3896/4885P2RX7 30/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885MAPK7 3896/4885P2RX7 30/4885

“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.