SCHEMBL2806922

SCHEMBL2806922

CNc1cncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
BDKRB1 P46663 1/20 0.34
PTK2 Q05397 3/20 0.33
KIT P10721 1/20 0.33
FLT3 P36888 1/20 0.33
TRPA1 O75762 3/20 0.32
P2RX7 Q99572 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
WDR5 P61964 1/20 0.31
BUB1 O43683 1/20 0.31
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
NAMPT P43490 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL2805842 0.89 GCGR (0.33) CNR2BDKRB1TRPA1P2RX7NAMPT
SCHEMBL14856783 0.87 BDKRB1 (0.32) CNR2BDKRB1PTK2KITFLT3
SCHEMBL185570 0.87 ALDH1A1 (0.36) CNR2BDKRB1PTK2TRPA1MAPK9
SCHEMBL186065 0.86 BDKRB1 (0.41) CNR2BDKRB1PTK2TRPA1P2RX7
SCHEMBL2809582 0.85 BDKRB1 (0.36) CNR2BDKRB1PTK2TRPA1P2RX7
SCHEMBL185916 0.84 BDKRB1 (0.41) CNR2BDKRB1PTK2TRPA1P2RX7
SCHEMBL2805859 0.83 BDKRB1 (0.41) CNR2BDKRB1TRPA1P2RX7
SCHEMBL186319 0.83 BDKRB1 (0.49) CNR2BDKRB1TRPA1P2RX7NAMPT
SCHEMBL186464 0.83 BDKRB1 (0.40) CNR2BDKRB1PTK2TRPA1P2RX7
SCHEMBL2812751 0.83 P2RX7 (0.37) CNR2TRPA1P2RX7

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 CNR2 882/4885BDKRB1 289/4885PTK2 3921/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885BDKRB1 289/4885PTK2 3921/4885

“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.