SCHEMBL14059552

SCHEMBL14059552

NC(=O)c1nnc2ccc(I)cc2c1N

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.62
LCK P06239 5/20 0.61
BTK Q06187 5/20 0.61
MAP2K3 P46734 1/20 0.61
MAP2K6 P52564 1/20 0.61
MAP3K19 Q56UN5 1/20 0.61
NEK10 Q6ZWH5 1/20 0.61
TYMS P04818 1/20 0.36
APP P05067 1/20 0.35
CDK9 P50750 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 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
SCHEMBL31371966 0.87 LCK (0.61) LRRK2LCKBTKMAP2K3MAP2K6
SCHEMBL14059026 0.87 LCK (0.61) LRRK2LCKBTKMAP2K3MAP2K6
SCHEMBL4607280 0.83 LCK (0.44) LRRK2LCKBTKMAP2K3MAP2K6
SCHEMBL14059566 0.81 LRRK2 (0.62) LRRK2LCKBTKMAP2K3MAP2K6
SCHEMBL14059868 0.77 LRRK2 (1.00) LRRK2LCKBTKMAP2K3MAP2K6
SCHEMBL14061350 0.76 BTK (1.00) LRRK2LCKBTKMAP2K3MAP2K6
SCHEMBL14059043 0.76 LRRK2 (0.68) LRRK2
SCHEMBL15099536 0.74 HSP90AA1 (0.42) TYMSCDK9DYRK1ADYRK2DYRK1B
SCHEMBL14059201 0.73 LCK (0.41) LRRK2LCKBTKMAP2K3MAP2K6
SCHEMBL27586565 0.72 DYRK1A (0.41) LRRK2LCKBTKMAP2K3MAP2K6

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 5 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 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 1/4885LCK 472/4885BTK 129/4885

“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.