SCHEMBL184859

SCHEMBL184859

C/C(=N\O)c1ccc(Nc2ccc(Br)cc2C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
KIT P10721 4/20 0.36
FLT3 P36888 4/20 0.36
KDR P35968 3/20 0.34
EGFR P00533 1/20 0.34
MPO P05164 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CNR2 P34972 1/20 0.32
DHODH Q02127 2/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31
EDNRA P25101 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
APP P05067 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
BACE1 P56817 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
SCHEMBL2811511 1.00 OPRM1 (0.37) OPRM1KITFLT3KDREGFR
SCHEMBL2808251 0.88 KIT (0.38) OPRM1KITFLT3KDRKDM4E
SCHEMBL2808253 0.88 KIT (0.38) OPRM1KITFLT3KDRKDM4E
SCHEMBL185082 0.88 KIT (0.38) OPRM1KITFLT3KDRKDM4E
SCHEMBL14856502 0.86 RAB9A (0.39) KITFLT3KDRKDM4ECNR2
SCHEMBL2811620 0.86 RAB9A (0.39) KITFLT3KDRKDM4ECNR2
SCHEMBL2811623 0.86 RAB9A (0.39) KITFLT3KDRKDM4ECNR2
SCHEMBL184967 0.86 KIT (0.42) OPRM1KITFLT3KDREGFR
SCHEMBL2808006 0.83 KDM4E (0.41) KITFLT3EGFRKDM4ETAS2R14
SCHEMBL2808003 0.83 KDM4E (0.41) KITFLT3EGFRKDM4ETAS2R14

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 5 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP 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 OPRM1 160/4885KIT 989/4885FLT3 632/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRM1 160/4885KIT 989/4885FLT3 632/4885

“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.