SCHEMBL2806973

SCHEMBL2806973

CC(=O)c1ccc(Nc2c(F)cccc2C(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
KIT P10721 6/20 0.43
FLT3 P36888 6/20 0.43
JAK1 P23458 2/20 0.43
JAK3 P52333 2/20 0.43
JAK2 O60674 2/20 0.43
P4HTM Q9NXG6 1/20 0.39
EPHX2 P34913 1/20 0.38
GRM4 Q14833 1/20 0.38
AR P10275 1/20 0.37
MAPK10 P53779 1/20 0.37
DHODH Q02127 1/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNE1 P15382 2/20 0.36
KCNQ1 P51787 2/20 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
SCHEMBL2808729 0.85 PTGS2 (0.38) PTGS2KITFLT3JAK1JAK3
SCHEMBL2808733 0.85 PTGS2 (0.38) PTGS2KITFLT3JAK1JAK3
SCHEMBL2782296 0.81 PTGS2 (0.44) PTGS2JAK1JAK3JAK2GRM4
SCHEMBL185694 0.81 AKR1C3 (0.47) KITFLT3EPHX2DHODH
SCHEMBL27870363 0.80 PTGS2 (0.42) PTGS2KITFLT3JAK1JAK3
SCHEMBL2784614 0.78 JAK1 (0.43) PTGS2KITFLT3JAK1JAK3
SCHEMBL246040 0.78 PTGS2 (0.41) PTGS2KITFLT3JAK1JAK3
SCHEMBL27870381 0.77 PTGS2 (0.38) PTGS2KITFLT3JAK1JAK3
SCHEMBL185903 0.76 KIT (0.44) KITFLT3ARMAPK10DHODH
SCHEMBL185795 0.75 JAK1 (0.39) PTGS2KITFLT3JAK1JAK3

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 3 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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US 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 PTGS2 3027/4885KIT 989/4885FLT3 632/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PTGS2 3027/4885KIT 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.