SCHEMBL2811762

SCHEMBL2811762

Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3F)CCOC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.35
PTK2 Q05397 1/20 0.35
NTRK1 P04629 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPK9 P45984 3/20 0.34
MAPK10 P53779 3/20 0.34
CNR1 P21554 1/20 0.34
AURKA O14965 1/20 0.34
RAF1 P04049 1/20 0.34
PDE2A O00408 1/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 1/20 0.33
BRAF P15056 1/20 0.33
PTGES O14684 1/20 0.33
CYP2C9 P11712 1/20 0.33
EPHX2 P34913 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
SCHEMBL14865400 0.95 BDKRB1 (0.34) BDKRB1NTRK1HDAC6MAPK9MAPK10
SCHEMBL2805174 0.92 BDKRB1 (0.41) BDKRB1PTK2NTRK1HDAC3HDAC1
SCHEMBL2806388 0.92 HDAC3 (0.38) BDKRB1NTRK1HDAC3HDAC1HDAC2
SCHEMBL2811531 0.91 BDKRB1 (0.37) BDKRB1PTK2NTRK1CNR1RAF1
SCHEMBL10070758 0.89 EPHX2 (0.40) BDKRB1EPHX2P2RX7
SCHEMBL2809623 0.89 BDKRB1 (0.39) BDKRB1PTK2HDAC3HDAC1HDAC2
SCHEMBL185850 0.89 FAAH (0.38) BDKRB1NTRK1MAPK9MAPK10CNR1
SCHEMBL185861 0.87 BDKRB1 (0.37) BDKRB1PTK2HDAC1CNR1AURKA
SCHEMBL9892777 0.86 PTGES (0.34) BDKRB1MAPK9MAPK10CNR1AURKA
SCHEMBL2807541 0.86 DHODH (0.35) BDKRB1NTRK1HDAC3HDAC1HDAC2

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 289/4885PTK2 3921/4885NTRK1 4210/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885PTK2 3921/4885NTRK1 4210/4885

“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.