SCHEMBL5430039

SCHEMBL5430039

CC1CCC(c2cc(-c3c(O)cccc3OCC3CC3)nc(N)n2)CN1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 20/20 0.51
▸ CHUK O15111 1/20 0.51

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
SCHEMBL5418958 0.84 IKBKB (0.69) IKBKBCHUK
SCHEMBL5426575 0.83 IKBKB (0.67) IKBKBCHUK
SCHEMBL5432223 0.81 IKBKB (0.70) IKBKBCHUK
SCHEMBL5421013 0.81 IKBKB (0.69) IKBKBCHUK
SCHEMBL5430303 0.77 IKBKB (0.56) IKBKBCHUK
Hydrochloric Acid SCHEMBL5435661 0.76 IKBKB (0.55) IKBKBCHUK
SCHEMBL5432337 0.76 SMN1; SMN2 (0.51) IKBKBCHUK
SCHEMBL5432193 0.75 IKBKB (0.58) IKBKBCHUK
Hydrochloric Acid SCHEMBL5433883 0.74 IKBKB (0.67) IKBKB
SCHEMBL5439238 0.73 IKBKB (0.69) IKBKB

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-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 — — US claimed
EP-1736472-A1 2-AMINOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-27 — — EP claimed
US-20070265289-A1 2-Aminopyrimidine Derivative ASTELLAS PHARMA INC. (JP) 2007-11-15 — — US disclosed
EP-1736472-A1 2-AMINOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-27 — — EP 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-20070265289-A1 2-Aminopyrimidine Derivative NFKBIA, IKBKG, NFKB2 IKBKB 10/4885CHUK 13/4885

“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.

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