SCHEMBL17829602

SCHEMBL17829602

Cc1cccc(-c2n[nH]c3cc(F)ccc23)c1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 18/20 0.69
ITK Q08881 2/20 0.58
MAP2K7 O14733 4/20 0.54
MAPK1 P28482 2/20 0.53
MAPK6 Q16659 2/20 0.53
MAPKAPK2 P49137 1/20 0.53
MAPKAPK3 Q16644 1/20 0.53

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
SCHEMBL17829662 0.83 MAP2K4 (0.82) MAP2K4ITKMAP2K7MAPK1MAPK6
SCHEMBL14081507 0.83 MAP2K4 (0.71) MAP2K4ITKMAP2K7MAPK1MAPK6
SCHEMBL27191587 0.82 MAP2K4 (1.00) MAP2K4ITKMAP2K7MAPK1MAPK6
SCHEMBL17829699 0.82 MAP2K4 (0.69) MAP2K4ITKMAP2K7MAPK1MAPK6
SCHEMBL5387981 0.81 AURKA (0.66) MAP2K4ITKMAP2K7MAPK1MAPK6
SCHEMBL4061854 0.80 MAP2K4 (0.48) MAP2K4ITKMAP2K7
SCHEMBL17829667 0.79 MAP2K4 (0.66) MAP2K4ITKMAP2K7MAPK1MAPK6
SCHEMBL17829604 0.79 MAP2K4 (0.66) MAP2K4ITKMAP2K7MAPK1MAPK6
SCHEMBL29988595 0.78 MAP2K4 (0.59) MAP2K4MAPK1MAPK6MAPKAPK2MAPKAPK3
SCHEMBL27191596 0.77 MAP2K4 (1.00) MAP2K4MAP2K7MAPK1MAPK6MAPKAPK3

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 1 patent. 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

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 793/4885ITK 2269/4885MAP2K7 1257/4885

“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.