SCHEMBL2394460

SCHEMBL2394460

CC(C)(C#N)c1ccc(-c2n[nH]c3cnc4ccc(-c5ccnc(N6CCOCC6)c5)cc4c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 20/20 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
SCHEMBL1558859 0.91 DGAT1 (0.45) LRRK2
SCHEMBL1558586 0.87 LRRK2 (0.49) LRRK2
SCHEMBL1558253 0.87 LRRK2 (0.46) LRRK2
SCHEMBL1558837 0.87 LRRK2 (0.43) LRRK2
SCHEMBL1557449 0.87 LRRK2 (0.42) LRRK2
SCHEMBL2400727 0.86 LRRK2 (0.48) LRRK2
SCHEMBL2395588 0.83 ACVR1 (0.44) LRRK2
SCHEMBL1557499 0.82 MKNK1 (0.44) LRRK2
SCHEMBL1558639 0.82 SRC (0.41) LRRK2
SCHEMBL2399164 0.81 MTOR (0.43) LRRK2

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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 — — 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 LRRK2 372/4885

“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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