SCHEMBL14060221

SCHEMBL14060221

N#Cc1nnc2cc(-c3ccncc3)ccc2c1NCCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 13/20 0.65
▸ POLB P06746 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ PRKCA P17252 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ CLK2 P49760 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ CLK4 Q9HAZ1 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ PRKACA P17612 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CDK9 P50750 1/20 0.35

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
SCHEMBL14059209 0.93 LRRK2 (0.64) LRRK2POLBRAD52PRKCDCLK2
SCHEMBL14059647 0.82 LRRK2 (0.46) LRRK2CLK2GSK3BROCK1DYRK1A
SCHEMBL14059204 0.82 LRRK2 (0.46) LRRK2CLK2GSK3BROCK1DYRK1A
SCHEMBL28950431 0.80 LRRK2 (0.46) LRRK2CLK2GSK3BROCK1DYRK1A
SCHEMBL14059310 0.80 LRRK2 (0.44) LRRK2CLK2GSK3BROCK1DYRK1A
SCHEMBL14059972 0.79 LRRK2 (1.00) LRRK2CSF1R
SCHEMBL14059965 0.76 LRRK2 (0.71) LRRK2
SCHEMBL14059734 0.76 LRRK2 (0.63) LRRK2AAK1
SCHEMBL28076020 0.73 LRRK2 (0.64) LRRK2POLBRAD52PRKCDCLK2
SCHEMBL14059769 0.72 LRRK2 (0.46) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 — — US claimed
US-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2015-10-08 — — US claimed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN claimed
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP claimed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO claimed
US-9884828-B2 Substituted cinnolines as inhibitors of LRRK2 kinase activity IMAGO PHARMACEUTICALS, INC. (US) 2018-02-06 — — US disclosed
US-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2015-10-08 — — US disclosed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 — — CN disclosed
EP-2726465-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY Elan Pharmaceuticals Inc. (US) 2014-05-07 — — EP disclosed
WO-2012162254-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY ELAN PHARMACEUTICALS, INC. (US) 2012-11-29 — — WO 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-20150284337-A1 INHIBITORS OF LRRK2 KINASE ACTIVITY LRRK2, PARK7, PINK1 LRRK2 1/4885POLB 2141/4885RAD52 4382/4885

“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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