SCHEMBL3524334

SCHEMBL3524334

CCC(C)(C)CNc1ccc(-c2ccnc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 19/20 0.58
CHUK O15111 17/20 0.58
JAK2 O60674 1/20 0.52

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
SCHEMBL3516875 0.93 IKBKB (0.60) IKBKBCHUKJAK2
SCHEMBL3516540 0.84 IKBKB (0.66) IKBKBCHUK
SCHEMBL3519995 0.84 IKBKB (0.63) IKBKBCHUKJAK2
SCHEMBL3522759 0.82 IKBKB (0.61) IKBKBCHUKJAK2
SCHEMBL3519371 0.82 IKBKB (0.71) IKBKBCHUKJAK2
SCHEMBL3517872 0.81 IKBKB (0.79) IKBKBCHUK
SCHEMBL4074460 0.80 IKBKB (0.79) IKBKBCHUKJAK2
SCHEMBL3520709 0.78 IKBKB (0.59) IKBKBCHUKJAK2
SCHEMBL3522246 0.77 IKBKB (0.70) IKBKBCHUKJAK2
SCHEMBL8308666 0.77 IKBKB (0.65) IKBKBCHUKJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885CHUK 2096/4885JAK2 341/4885

“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.