SCHEMBL4806370

SCHEMBL4806370

CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(Nc4ccc(C(N)=O)cc4)c3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.55
CHUK O15111 2/20 0.55
PIK3C3 Q8NEB9 1/20 0.52
CCNE2 O96020 2/20 0.49
CCNE1 P24864 2/20 0.49
CDK2 P24941 2/20 0.49
GSK3B P49841 2/20 0.49
GPR55 Q9Y2T6 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MELK Q14680 1/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4074460 0.82 IKBKB (0.79) IKBKBCHUK
SCHEMBL29025242 0.79 TSHR (0.48) PIK3C3LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL4803502 0.76 MAP4K4 (0.65)
SCHEMBL1518923 0.75 SMN1; SMN2 (0.48) IKBKBCHUKPIK3C3CCNE2CCNE1
SCHEMBL1518644 0.73 ALDH1A1 (0.48) IKBKBCHUKLMNASMN1; SMN2ALDH1A1
SCHEMBL3516540 0.69 IKBKB (0.66) IKBKBCHUK
SCHEMBL8308666 0.69 IKBKB (0.65) IKBKBCHUKCDK2
SCHEMBL8312509 0.69 IKBKB (0.63) IKBKBCHUKGSK3B
SCHEMBL1518922 0.69 SMN1; SMN2 (0.47) IKBKBCHUKCCNE2CCNE1CDK2
SCHEMBL4143075 0.69 MAPKAPK2 (0.75)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-06-03 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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 IKBKB 91/4885CHUK 69/4885PIK3C3 2525/4885

“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.