SCHEMBL21859797

SCHEMBL21859797

Cc1c(N)cncc1-c1cc2cc(NC(=O)O[C@@H]3COC[C@H]3C)ncc2c(N)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 20/20 1.00
MAP4K4 O95819 1/20 0.70
KCNH2 Q12809 1/20 0.70
MAP4K2 Q12851 1/20 0.70
LRRK2 Q5S007 1/20 0.70
MAP4K3 Q8IVH8 1/20 0.70
MINK1 Q8N4C8 1/20 0.70
AURKB Q96GD4 1/20 0.70
TNIK Q9UKE5 1/20 0.70

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
SCHEMBL21859675 1.00 MAP4K1 (1.00) MAP4K1MAP4K4KCNH2MAP4K2LRRK2
SCHEMBL30264757 1.00 MAP4K1 (1.00) MAP4K1MAP4K4KCNH2MAP4K2LRRK2
SCHEMBL30265569 1.00 MAP4K1 (1.00) MAP4K1MAP4K4KCNH2MAP4K2LRRK2
SCHEMBL21860005 0.86 MAP4K1 (0.91) MAP4K1
SCHEMBL30265059 0.86 MAP4K1 (0.91) MAP4K1
SCHEMBL20517184 0.86 MAP4K1 (1.00) MAP4K1
SCHEMBL20517471 0.83 MAP4K1 (1.00) MAP4K1
SCHEMBL20517473 0.83 MAP4K1 (1.00) MAP4K1
SCHEMBL20517470 0.83 MAP4K1 (1.00) MAP4K1
SCHEMBL30210279 0.83 MAP4K1 (1.00) MAP4K1

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
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 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-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 MAP4K1 9/4885MAP4K4 49/4885KCNH2 3172/4885

“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.