SCHEMBL17829918

SCHEMBL17829918

Cc1ccc2c(-c3ccc(Cl)c(Cl)c3)n[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.65
ITK Q08881 4/20 0.52
MAP2K4 P45985 9/20 0.48
MAPK1 P28482 5/20 0.48
MAPKAPK3 Q16644 5/20 0.48
MAPK6 Q16659 5/20 0.48
MAPKAPK2 P49137 4/20 0.48
MAPKAPK5 Q8IW41 3/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAP2K7 O14733 1/20 0.46
PDPK1 O15530 1/20 0.45
HSP90AB1 P08238 1/20 0.45
IKBKB O14920 2/20 0.44
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL17818474 0.78 TRPA1 (0.68) IDO1MAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL4005413 0.77 MAP2K4 (0.65) IDO1ITKMAP2K4MAPK1MAPKAPK3
SCHEMBL11683028 0.76 IDO1 (0.71) IDO1MAP2K4MAPKAPK2ALDH1A1MAPT
SCHEMBL8269417 0.74 ITK (0.50) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL27191613 0.72 MAP2K4 (0.71) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL31021959 0.72 LRRK2 (0.61) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL13525178 0.72 JAK2 (0.52) PDPK1IKBKB
SCHEMBL27341653 0.72 ITK (0.46) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL14081507 0.71 MAP2K4 (0.71) ITKMAP2K4MAPK1MAPKAPK3MAPK6
SCHEMBL30442416 0.71 IDO1 (0.51) IDO1MAPK1ALDH1A1MAPTHPGD

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 IDO1 4129/4885ITK 2269/4885MAP2K4 793/4885

“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.