SCHEMBL3525985

SCHEMBL3525985

Cc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3F)nc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 13/20 0.62
CSNK1D P48730 13/20 0.62
CSNK1A1 P48729 11/20 0.62
MAP4K4 O95819 11/20 0.62
MINK1 Q8N4C8 10/20 0.62
PRKD2 Q9BZL6 9/20 0.62
MAP4K5 Q9Y4K4 6/20 0.62
MAPK14 Q16539 2/20 0.62
MAPK8 P45983 10/20 0.61
GSK3B P49841 8/20 0.61
PRKX P51817 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
PRKD3 O94806 10/20 0.60
TAOK1 Q7L7X3 8/20 0.60
CSNK1G3 Q9Y6M4 8/20 0.60
CSNK1G2 P78368 7/20 0.60
LIMK1 P53667 5/20 0.60
CLK4 Q9HAZ1 2/20 0.60
PRKCG P05129 1/20 0.60
EPHA2 P29317 1/20 0.60

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
SCHEMBL3725128 0.91 MAPK9 (0.64) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL3527750 0.89 MAPK9 (0.50) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL3525318 0.89 MAPK9 (0.61) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL3525077 0.88 MAPK9 (0.60) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL3528332 0.86 MAPK9 (0.64) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL3519701 0.85 MAPK9 (0.58) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL3524337 0.85 MAPK9 (0.66) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL3525735 0.83 MAPK9 (0.63) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL13342092 0.77 MAPK9 (1.00) MAPK9CSNK1DCSNK1A1MAP4K4MINK1
SCHEMBL13959832 0.77 MAPK9 (0.54) MAPK9CSNK1DCSNK1A1MAP4K4MINK1

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 18 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-7709468-B2 Imidazo based heterocycles ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-2139329-A1 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2010-01-06 EP disclosed
US-20080249305-A1 Novel imidazole based heterocycles ABBOTT LABORATORIES 2008-10-09 US disclosed
US-20080249305-A1 Novel imidazole based heterocycles ABBOTT LABORATORIES 2008-10-09 US disclosed
US-20080249305-A1 Novel imidazole based heterocycles ABBOTT LABORATORIES 2008-10-09 US disclosed
US-20080242862-A1 Novel imidazo based heterocycles ABBOTT LABORATORIES 2008-10-02 US disclosed
US-20080242862-A1 Novel imidazo based heterocycles ABBOTT LABORATORIES 2008-10-02 US disclosed
US-20080242862-A1 Novel imidazo based heterocycles ABBOTT LABORATORIES 2008-10-02 US disclosed
WO-2008118485-A1 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed
WO-2008118485-A1 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2008-10-02 WO disclosed
EP-1928237-A2 NOVEL IMIDAZO BASED HETEROCYCLES Abbott Laboratories (US) 2008-06-11 EP 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
US-20070099925-A1 Novel imidazo based heterocycles ABBVIE INC. 2007-05-03 US disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 WO disclosed
WO-2007028051-A2 NOVEL IMIDAZO BASED HETEROCYCLES ABBOTT LABORATORIES (US) 2007-03-08 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 (3 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 MAPK9 189/4885CSNK1D 281/4885CSNK1A1 77/4885
US-20080242862-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K15 MAPK9 274/4885CSNK1D 669/4885CSNK1A1 256/4885
US-20080249305-A1 Novel imidazole based heterocycles MAP3K5, MAP3K15, MAP3K20 MAPK9 249/4885CSNK1D 743/4885CSNK1A1 369/4885

“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.