SCHEMBL2809229

SCHEMBL2809229

Cc1ccc(Nc2ccc(CNC(=O)C3(NC(=O)c4cncnc4)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.41
BRAF P15056 2/20 0.35
EGFR P00533 1/20 0.35
DHODH Q02127 5/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LCK P06239 1/20 0.32
KIT P10721 1/20 0.32
SRC P12931 1/20 0.32
MAPK14 Q16539 1/20 0.32
CNR1 P21554 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.31
NAMPT P43490 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
SCHEMBL2805859 0.92 BDKRB1 (0.41) BDKRB1CNR1CNR2
SCHEMBL2806522 0.91 BDKRB1 (0.41) BDKRB1BRAFLCKKITSRC
SCHEMBL13166249 0.91 BDKRB1 (0.40) BDKRB1DHODHCYP3A4CYP2C9CYP2C19
SCHEMBL13160124 0.90 BDKRB1 (0.40) BDKRB1BRAFEGFRCNR1CNR2
SCHEMBL2809358 0.90 BDKRB1 (0.40) BDKRB1BRAFEGFRRAB9ACNR2
SCHEMBL184922 0.90 BDKRB1 (0.40) BDKRB1BRAFEGFRDHODHCNR2
SCHEMBL2808761 0.90 BDKRB1 (0.40) BDKRB1CYP2C19CNR1RAB9ACNR2
SCHEMBL2808448 0.90 BDKRB1 (0.47) BDKRB1BRAFEGFRCNR1MAPT
SCHEMBL2809443 0.90 BDKRB1 (0.41) BDKRB1BRAFEGFRCNR1
SCHEMBL2804952 0.90 BDKRB1 (0.43) BDKRB1

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 289/4885BRAF 3144/4885EGFR 1953/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885BRAF 3144/4885EGFR 1953/4885

“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.