SCHEMBL2811231

SCHEMBL2811231

Cc1cccc(C(F)(F)F)c1Nc1ccc(CNC(=O)C2(NC(=O)c3cncnc3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 7/20 0.43
BRAF P15056 2/20 0.35
LCK P06239 2/20 0.34
KIT P10721 2/20 0.34
SRC P12931 2/20 0.34
MAPK14 Q16539 2/20 0.34
EGFR P00533 1/20 0.33
MPL P40238 1/20 0.32
ABL1 P00519 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.31
RIPK1 Q13546 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL14963878 0.92 BDKRB1 (0.36) BDKRB1BRAFLCKKITSRC
SCHEMBL2805107 0.91 BDKRB1 (0.42) BDKRB1MPLCNR1CNR2
SCHEMBL2806425 0.86 BDKRB1 (0.45) BDKRB1KDM4EALDH1A1
SCHEMBL2809229 0.84 BDKRB1 (0.41) BDKRB1BRAFLCKKITSRC
SCHEMBL2806520 0.83 BDKRB1 (0.35) BDKRB1MPLCNR2
SCHEMBL2811232 0.83 BRAF (0.36) BDKRB1BRAFLCKKITSRC
SCHEMBL2813315 0.83 BDKRB1 (0.42) BDKRB1KDM4EALDH1A1HPGDTDP1
SCHEMBL2805742 0.82 BDKRB1 (0.42) BDKRB1BRAFEGFRCNR1CNR2
SCHEMBL2805859 0.82 BDKRB1 (0.41) BDKRB1CNR1CNR2
SCHEMBL2806522 0.81 BDKRB1 (0.41) BDKRB1BRAFLCKKITSRC

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 3144/4885LCK 3975/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885BRAF 3144/4885LCK 3975/4885

“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.