SCHEMBL3525962

SCHEMBL3525962

Fc1ccc(-c2cn3ccnc(CC4CC4)c3n2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 3/20 0.48
MAP4K4 O95819 3/20 0.48
MAPK9 P45984 3/20 0.48
CSNK1A1 P48729 3/20 0.48
CSNK1D P48730 3/20 0.48
MINK1 Q8N4C8 3/20 0.48
CSNK1G2 P78368 2/20 0.48
CSNK1G3 Q9Y6M4 2/20 0.48
MAPK8 P45983 1/20 0.48
GSK3B P49841 1/20 0.48
MET P08581 1/20 0.36
MAPK1 P28482 1/20 0.36
LIMK1 P53667 1/20 0.36
DYRK1A Q13627 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
PBK Q96KB5 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL3724533 0.83 MAP4K4 (0.46) PRKD3MAP4K4MAPK9CSNK1A1CSNK1D
SCHEMBL3524359 0.83 NPC1 (0.47) PRKD3MAP4K4MAPK9CSNK1A1CSNK1D
SCHEMBL3523202 0.77 KMO (0.40) ADORA2AADORA1TGFBR1KMOF2RL3
SCHEMBL3242198 0.77 MAPK9 (0.42) PRKD3MAP4K4MAPK9CSNK1A1CSNK1D
SCHEMBL13368329 0.73 KMO (0.51) MAPK9CSNK1A1CSNK1DMAPK8GSK3B
SCHEMBL3663945 0.70 MAPK9 (0.68) PRKD3MAP4K4MAPK9CSNK1A1CSNK1D
SCHEMBL3528770 0.70 ALPL (0.47) KMOF2RL3PDE3BPDE3A
SCHEMBL3524337 0.69 MAPK9 (0.66) PRKD3MAP4K4MAPK9CSNK1A1CSNK1D
SCHEMBL3527167 0.66 PDE3B (0.49) DYRK1AADORA2AADORA1TGFBR1KMO
SCHEMBL3529079 0.65 NPC1 (0.51) METADORA2AADORA1TGFBR1TP53

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 16 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
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
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 PRKD3 365/4885MAP4K4 23/4885MAPK9 189/4885
US-20080242862-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K15 PRKD3 214/4885MAP4K4 22/4885MAPK9 274/4885
US-20080249305-A1 Novel imidazole based heterocycles MAP3K5, MAP3K15, MAP3K20 PRKD3 191/4885MAP4K4 25/4885MAPK9 249/4885

“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.