SCHEMBL2809766

SCHEMBL2809766

N#Cc1ccccc1Nc1cnc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.43
PIM2 Q9P1W9 1/20 0.37
CNR1 P21554 1/20 0.36
CTSL P07711 5/20 0.36
CTSK P43235 5/20 0.36
CTSS P25774 6/20 0.35
CTSB P07858 3/20 0.34
CXCR4 P61073 1/20 0.34
VNN1 O95497 1/20 0.34
TTK P33981 1/20 0.34
AR P10275 1/20 0.33
AURKA O14965 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
SCHEMBL2806859 0.92 BDKRB1 (0.40) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL185655 0.90 BDKRB1 (0.35) BDKRB1PIM2CTSLCTSSCTSB
SCHEMBL2805300 0.88 BDKRB1 (0.44) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL2805260 0.87 BDKRB1 (0.45) BDKRB1CNR1CXCR4AURKA
SCHEMBL2836906 0.84 BDKRB1 (0.54) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL200796 0.82 FAAH (0.33) BDKRB1CXCR4VNN1
SCHEMBL13128558 0.81 BDKRB1 (0.40) BDKRB1CNR1CXCR4ARAURKA
SCHEMBL13128434 0.80 BDKRB1 (0.47) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL2808193 0.80 BDKRB1 (0.47) BDKRB1CNR1CTSLCTSKCTSS
SCHEMBL13160707 0.80 PIM2 (0.33) PIM2TTK

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 289/4885PIM2 4416/4885CNR1 211/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885PIM2 4416/4885CNR1 211/4885

“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.