SCHEMBL12001380

SCHEMBL12001380

CC(=O)NC(C)Cc1ccc(-c2ccnc(NC(C)C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 18/20 0.66
▸ MAPK8 P45983 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
SCHEMBL12001135 0.87 ACACB (0.67) ACACB
SCHEMBL12001159 0.84 ACACB (0.68) ACACB
SCHEMBL255708 0.83 ACACB (0.53) ACACB
SCHEMBL12001468 0.82 ACACB (0.69) ACACB
SCHEMBL255712 0.81 ACACB (0.66) ACACB
SCHEMBL12001203 0.80 ACACB (0.72) ACACB
SCHEMBL12001511 0.80 ACACB (0.67) ACACB
SCHEMBL256150 0.80 ACACB (0.67) ACACB
SCHEMBL12001713 0.80 ACACB (0.67) ACACB
SCHEMBL12001150 0.80 ACACB (0.67) ACACB

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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 — — 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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885MAPK8 3933/4885

“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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