SCHEMBL184967

SCHEMBL184967

CC(=O)c1ccc(Nc2ccc(Br)cc2C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.42
FLT3 P36888 3/20 0.42
KDR P35968 3/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
MPO P05164 1/20 0.39
AR P10275 1/20 0.38
EGFR P00533 1/20 0.38
OPRM1 P35372 1/20 0.38
DHODH Q02127 3/20 0.38
KDM1A O60341 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL185903 0.88 KIT (0.44) KITFLT3KDRAKR1C3AKR1C2
SCHEMBL2811511 0.86 OPRM1 (0.37) KITFLT3KDRMPOEGFR
SCHEMBL184859 0.86 OPRM1 (0.37) KITFLT3KDRMPOEGFR
SCHEMBL186306 0.85 RAB9A (0.46) KITFLT3KDRAKR1C3AKR1C2
Trifluoroacetic Acid SCHEMBL185821 0.84 FLT3 (0.49) KITFLT3KDRMPOEGFR
Trifluoroacetic Acid SCHEMBL2807127 0.84 FLT3 (0.49) KITFLT3KDRMPOEGFR
SCHEMBL185694 0.82 AKR1C3 (0.47) KITFLT3AKR1C3AKR1C2DHODH
SCHEMBL184811 0.81 OPRM1 (0.44) MPOOPRM1DHODHKDM1ACNR2
SCHEMBL27870357 0.80 CNR2 (0.37) KITFLT3KDRMPOEGFR
SCHEMBL27853681 0.78 OPRM1 (0.39) KITFLT3KDRMPOEGFR

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 KIT 989/4885FLT3 632/4885KDR 4285/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KIT 989/4885FLT3 632/4885KDR 4285/4885

“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.