SCHEMBL2320602

SCHEMBL2320602

Nc1cc(-c2cc(F)cc(F)c2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP4K4 O95819 2/20 0.46
PDPK1 O15530 1/20 0.45
NOS3 P29474 4/20 0.44
NOS2 P35228 4/20 0.44
NOS1 P29475 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK10 P53779 1/20 0.43
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4402187 0.84 DYRK1A (0.63) DYRK1AMKNK1MKNK2PDPK1NOS3
SCHEMBL30935767 0.84 DYRK1A (0.63) DYRK1AMKNK1MKNK2PDPK1NOS3
SCHEMBL21001790 0.83 DYRK1A (0.59) DYRK1AMKNK1MKNK2MAP4K4PDPK1
SCHEMBL29432660 0.83 DYRK1A (0.59) DYRK1AMKNK1MKNK2MAP4K4PDPK1
Hydrochloric Acid SCHEMBL10461111 0.82 DYRK1A (0.61) DYRK1AMKNK1MKNK2PDPK1NOS3
SCHEMBL30337203 0.80 DYRK1A (0.70) DYRK1AMKNK1MKNK2PDPK1NOS3
SCHEMBL24155829 0.77 DYRK1A (0.45) DYRK1AMKNK1MKNK2PDPK1NOS3
SCHEMBL4411668 0.76 DYRK1A (0.60) DYRK1AMKNK1MKNK2MAP4K4PDPK1
SCHEMBL29733143 0.76 DYRK1A (0.60) DYRK1AMKNK1MKNK2MAP4K4PDPK1
SCHEMBL310167 0.75

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R DYRK1A 1159/4885MKNK1 4629/4885MKNK2 4414/4885

“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.