SCHEMBL17833494

SCHEMBL17833494

Cc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.70
MKNK1 Q9BUB5 1/20 0.70
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
EGFR P00533 10/20 0.49
KDR P35968 6/20 0.48
RET P07949 5/20 0.48
KIF5B P33176 4/20 0.48
ALK Q9UM73 2/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IRAK4 Q9NWZ3 2/20 0.45
GAK O14976 2/20 0.45
MAPK1 P28482 1/20 0.45
RIPK2 O43353 1/20 0.45
STK10 O94804 1/20 0.45
FLT3 P36888 1/20 0.45
AAK1 Q2M2I8 1/20 0.45

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
SCHEMBL323445 0.82 JAK3 (1.00) JAK3MKNK1ABCB1ABCG2EGFR
SCHEMBL30925305 0.82 JAK3 (1.00) JAK3MKNK1ABCB1ABCG2EGFR
Hydrochloric Acid SCHEMBL6182238 0.80 RET (0.57) EGFRKDRRETKIF5BLMNA
SCHEMBL28421695 0.78 ABCG2 (0.64) JAK3MKNK1ABCG2EGFRKDR
SCHEMBL3682274 0.76 FGFR1 (0.70) EGFRKDRRETKIF5BHTT
SCHEMBL15070939 0.76 EGFR (0.71) MKNK1ABCG2EGFRKDRMAPT
SCHEMBL5864733 0.72 JAK3 (0.79) JAK3MKNK1ABCB1ABCG2EGFR
SCHEMBL15496540 0.71 EGFR (0.54) JAK3MKNK1ABCB1ABCG2EGFR
SCHEMBL8986212 0.71 CYP1A2 (0.54) EGFRKDRLMNAMAPTHTT
SCHEMBL17532922 0.70 EGFR (0.72) MKNK1EGFRLMNAMAPTHTT

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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 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-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 JAK3 565/4885MKNK1 4705/4885ABCB1 238/4885

“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.