SCHEMBL2804952

SCHEMBL2804952

COc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.43
EPHX2 P34913 8/20 0.38
P2RX7 Q99572 1/20 0.37
F10 P00742 1/20 0.36
PTK2 Q05397 2/20 0.36
PIK3CA P42336 1/20 0.36
HPGDS O60760 2/20 0.35
BTK Q06187 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL10070609 0.93 BDKRB1 (0.37) BDKRB1EPHX2P2RX7PTK2PIK3CA
SCHEMBL2808448 0.91 BDKRB1 (0.47) BDKRB1F10
SCHEMBL2809229 0.90 BDKRB1 (0.41) BDKRB1
SCHEMBL2805859 0.90 BDKRB1 (0.41) BDKRB1P2RX7
SCHEMBL2806522 0.89 BDKRB1 (0.41) BDKRB1
SCHEMBL2809358 0.88 BDKRB1 (0.40) BDKRB1PTK2
SCHEMBL184922 0.88 BDKRB1 (0.40) BDKRB1
SCHEMBL13160124 0.88 BDKRB1 (0.40) BDKRB1PTK2
SCHEMBL2808761 0.88 BDKRB1 (0.40) BDKRB1P2RX7
SCHEMBL186854 0.88 BDKRB1 (0.43) BDKRB1EPHX2F10PTK2BTK

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 289/4885EPHX2 1733/4885P2RX7 30/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885EPHX2 1733/4885P2RX7 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.