SCHEMBL2317367

SCHEMBL2317367

O=C(CN1CCN2C(=O)CC=C2C1)Nc1cc(-c2cc(F)cc(F)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.41
DYRK1A Q13627 9/20 0.41
MAP4K4 O95819 2/20 0.39
MAPK14 Q16539 1/20 0.39
DEGS1 O15121 1/20 0.37
NPY5R Q15761 5/20 0.37
BUB1 O43683 1/20 0.36
WNT1 P04628 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
SCHEMBL2315657 0.88 NPY5R (0.47) GSK3BDYRK1ADEGS1NPY5R
SCHEMBL2322316 0.84 RIOK2 (0.41) GSK3BDYRK1A
SCHEMBL2359910 0.83 MAP4K4 (0.40) GSK3BDYRK1AMAP4K4DEGS1
SCHEMBL2320294 0.77 WNT3A (0.49) GSK3BDYRK1AMAPK14
SCHEMBL2318025 0.75 TSHR (0.58) DEGS1
SCHEMBL2317358 0.75 NPY5R (0.49) GSK3BDYRK1AMAPK14NPY5RWNT1
SCHEMBL12284201 0.72 WNT3A (0.44) GSK3BDYRK1AMAPK14WNT1
SCHEMBL2317315 0.72 MEN1 (0.38) DYRK1A
SCHEMBL2317072 0.65 MAPK8 (0.52) GSK3BMAP4K4MAPK14DEGS1
SCHEMBL2316827 0.65 WNT3A (0.58) GSK3BDYRK1ADEGS1NPY5R

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 GSK3B 2646/4885DYRK1A 1159/4885MAP4K4 3027/4885

“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.