SCHEMBL17829604

SCHEMBL17829604

Fc1ccc2c(-c3cccc(C(F)(F)F)c3)n[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 17/20 0.66
TRPA1 O75762 1/20 0.60
PIM1 P11309 1/20 0.54
MAP2K7 O14733 3/20 0.52
MAPK1 P28482 3/20 0.51
MAPK6 Q16659 3/20 0.51
MAPKAPK2 P49137 1/20 0.51
MAPKAPK3 Q16644 1/20 0.51
MAPKAPK5 Q8IW41 1/20 0.50
ITK Q08881 1/20 0.49

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
SCHEMBL17829665 0.84 AURKA (0.60) MAP2K4TRPA1PIM1MAP2K7MAPK1
SCHEMBL17829662 0.81 MAP2K4 (0.82) MAP2K4MAP2K7MAPK1MAPK6MAPKAPK2
SCHEMBL27191587 0.80 MAP2K4 (1.00) MAP2K4MAP2K7MAPK1MAPK6MAPKAPK2
SCHEMBL17829602 0.79 MAP2K4 (0.69) MAP2K4MAP2K7MAPK1MAPK6MAPKAPK2
SCHEMBL17829699 0.79 MAP2K4 (0.69) MAP2K4MAP2K7MAPK1MAPK6MAPKAPK2
SCHEMBL1513065 0.79 MAP2K4 (0.70) MAP2K4TRPA1MAPK1MAPK6MAPKAPK2
SCHEMBL27191584 0.77 MAP2K4 (1.00) MAP2K4MAP2K7
SCHEMBL17829667 0.77 MAP2K4 (0.66) MAP2K4MAP2K7MAPK1MAPK6MAPKAPK2
SCHEMBL2466587 0.76 PIM1 (0.56) MAP2K4TRPA1PIM1MAPK1MAPK6
SCHEMBL12907194 0.75 PDPK1 (0.66) TRPA1ITK

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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 (1 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 MAP2K4 793/4885TRPA1 1229/4885PIM1 222/4885

“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.