SCHEMBL185694

SCHEMBL185694

CC(=O)c1ccc(Nc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
KIT P10721 1/20 0.46
FLT3 P36888 1/20 0.46
AURKA O14965 2/20 0.45
HTT P42858 2/20 0.42
TAS2R14 Q9NYV8 2/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
DHODH Q02127 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL27853658 0.88 AURKA (0.51) AKR1C3AKR1C2KITFLT3AURKA
SCHEMBL2780905 0.86 FLT3 (0.57) KITFLT3AURKAALDH1A1TDP1
SCHEMBL2808006 0.84 KDM4E (0.41) AKR1C3AKR1C2KITFLT3AURKA
SCHEMBL185676 0.84 KDM4E (0.41) AKR1C3AKR1C2KITFLT3AURKA
SCHEMBL2808003 0.84 KDM4E (0.41) AKR1C3AKR1C2KITFLT3AURKA
SCHEMBL185903 0.84 KIT (0.44) AKR1C3AKR1C2KITFLT3AURKA
SCHEMBL184967 0.82 KIT (0.42) AKR1C3AKR1C2KITFLT3TAS2R14
SCHEMBL186306 0.82 RAB9A (0.46) AKR1C3AKR1C2KITFLT3HTT
SCHEMBL2806973 0.81 PTGS2 (0.44) KITFLT3DHODHEPHX2
SCHEMBL27578445 0.79 RAB9A (0.53) AURKAHTTALDH1A1TDP1KMT2A

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 AKR1C3 310/4885AKR1C2 937/4885KIT 989/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AKR1C3 310/4885AKR1C2 937/4885KIT 989/4885

“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.