SCHEMBL722055

SCHEMBL722055

COc1cc2cc(-n3c(=O)[nH]c4ncc(-c5cc(OC)c(OC)c(OC)c5)nc43)ccc2[nH]1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 20/20 0.83
LRRK2 Q5S007 1/20 0.77

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
SCHEMBL7908559 0.91 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL722934 0.87 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL7899779 0.87 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL722624 0.84 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL721886 0.84 MAP3K11 (0.75) MAP3K11LRRK2
SCHEMBL720512 0.83 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL723157 0.83 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL722945 0.83 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL721930 0.83 MAP3K11 (0.86) MAP3K11LRRK2
SCHEMBL720528 0.82 MAP3K11 (1.00) MAP3K11LRRK2

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-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 US disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 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-20120053175-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885LRRK2 397/4885

“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.