SCHEMBL17211641

SCHEMBL17211641

COc1cc(-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)ccc1CO

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.72
KIT P10721 9/20 0.71
DYRK1A Q13627 3/20 0.64
AAK1 Q2M2I8 2/20 0.62
CLK1 P49759 1/20 0.61
CLK2 P49760 1/20 0.61
DYRK2 Q92630 1/20 0.61
CLK4 Q9HAZ1 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
SLC2A1 P11166 1/20 0.61
LRRK2 Q5S007 1/20 0.56

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
SCHEMBL17211639 0.91 KIT (0.64) MAP3K11KITDYRK1AAAK1SLC2A1
SCHEMBL17200869 0.88 KIT (0.91) MAP3K11KITDYRK1AAAK1SLC2A1
SCHEMBL721017 0.84 MAP3K11 (1.00) MAP3K11KITDYRK1AAAK1SLC2A1
SCHEMBL8941707 0.83 KIT (1.00) MAP3K11KITDYRK1AAAK1SLC2A1
SCHEMBL8941722 0.80 KIT (0.74) MAP3K11KITDYRK1ACLK1CLK2
SCHEMBL8941778 0.79 DYRK1A (0.77) MAP3K11KITDYRK1ACLK1CLK2
SCHEMBL15833894 0.79 KIT (1.00) KITDYRK1AAAK1SLC2A1
SCHEMBL15555716 0.77 KIT (0.86) KITDYRK1AAAK1SLC2A1
SCHEMBL12763532 0.77 DYRK1A (0.73) MAP3K11KITDYRK1AAAK1CLK1
SCHEMBL12763536 0.77 DYRK1A (1.00) KITDYRK1AAAK1SLC2A1

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-9447093-B2 3,5-diarylazaindoles as DYRK1A protein inhibitors for the treatment of cognitive deficiencies associated with Down's syndrome and with Alzheimer's disease CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-09-20 US disclosed
US-20150307492-A1 3,5-Diarylazaindoles as DYRK1A Protein Inhibitors for the Treatment of Cognitive Deficiencies Associated with Down's Syndrome and with Alzheimer's Disease CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-10-29 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-20150307492-A1 3,5-Diarylazaindoles as DYRK1A Protein Inhibitors for the Treatment of Cognitive Deficiencies Associated with Down's Syndrome and with Alzheimer's Disease DYRK1A, DYRK3, DYRK2 MAP3K11 309/4885KIT 4658/4885DYRK1A 1/4885

“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.