SCHEMBL3523752

SCHEMBL3523752

[O-][n+]1ccn2c(-c3ccnc(NC4CC4)n3)c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 4/20 0.56
MAP4K4 O95819 4/20 0.56
MAPK9 P45984 4/20 0.56
CSNK1A1 P48729 4/20 0.56
GSK3A P49840 4/20 0.56
GSK3B P49841 4/20 0.56
CSNK1G2 P78368 4/20 0.56
TAOK1 Q7L7X3 4/20 0.56
MINK1 Q8N4C8 4/20 0.56
PRKD2 Q9BZL6 4/20 0.56
CSNK1G3 Q9Y6M4 4/20 0.56
MAPK1 P28482 3/20 0.56
MAPK8 P45983 3/20 0.56
CSNK1G1 Q9HCP0 2/20 0.56
CLK2 P49760 2/20 0.56
AURKB Q96GD4 1/20 0.56
HIPK2 Q9H2X6 1/20 0.56
PIM2 Q9P1W9 1/20 0.56
ALK Q9UM73 1/20 0.56
CSNK1D P48730 3/20 0.52

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
SCHEMBL3521560 0.83 MAPK11 (0.42) PRKD3MAP4K4MAPK9CSNK1A1GSK3A
SCHEMBL3524490 0.82 PRKD3 (0.74) PRKD3MAP4K4MAPK9CSNK1A1GSK3A
SCHEMBL5411874 0.80 MAPK1 (0.58) PRKD3MAP4K4MAPK9CSNK1A1GSK3A
SCHEMBL14561753 0.79
SCHEMBL14561264 0.79
SCHEMBL3523229 0.78 MAPK9 (0.64) PRKD3MAP4K4MAPK9CSNK1A1GSK3A
SCHEMBL3520138 0.78
SCHEMBL12023276 0.77 PRKD3 (0.87) PRKD3MAP4K4MAPK9CSNK1A1GSK3A
SCHEMBL3523193 0.77 PRKD3 (0.70) PRKD3MAP4K4MAPK9CSNK1A1GSK3A
SCHEMBL14561327 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 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-20070099925-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K19 PRKD3 365/4885MAP4K4 23/4885MAPK9 189/4885

“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.