SCHEMBL3724533

SCHEMBL3724533

CCc1nccn2cc(-c3ccc(F)cc3F)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 6/20 0.46
MAPK9 P45984 6/20 0.46
CSNK1D P48730 6/20 0.46
CSNK1A1 P48729 5/20 0.46
MINK1 Q8N4C8 5/20 0.46
PRKD3 O94806 5/20 0.46
CSNK1G3 Q9Y6M4 3/20 0.46
F2RL3 Q96RI0 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
KMO O15229 1/20 0.38
TGFBR1 P36897 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PRKD2 Q9BZL6 4/20 0.37
MAPK14 Q16539 2/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
TP53 P04637 2/20 0.36
MDM2 Q00987 1/20 0.36
GRM5 P41594 3/20 0.36

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
SCHEMBL3242198 0.86 MAPK9 (0.42) MAP4K4MAPK9CSNK1DCSNK1A1MINK1
SCHEMBL3525962 0.83 PRKD3 (0.48) MAP4K4MAPK9CSNK1DCSNK1A1MINK1
SCHEMBL3523202 0.81 KMO (0.40) F2RL3ADORA2AADORA1KMOTGFBR1
SCHEMBL13368329 0.77 KMO (0.51) MAPK9CSNK1DCSNK1A1F2RL3ADORA2A
SCHEMBL3528770 0.75 ALPL (0.47) F2RL3KMOPDE3BPDE3AFEN1
SCHEMBL3527167 0.69 PDE3B (0.49) F2RL3ADORA2AADORA1KMOTGFBR1
SCHEMBL4923880 0.69 MAPK9 (0.67) MAP4K4MAPK9CSNK1DCSNK1A1MINK1
SCHEMBL3529079 0.69 NPC1 (0.51) ADORA2AADORA1TGFBR1TP53KDM4E
SCHEMBL14525382 0.69 NPC1 (0.51) TP53KDM4ENPC1ALDH1A1NFKB1
SCHEMBL24080854 0.67 HCRTR2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080242862-A1 Novel imidazo based heterocycles CDK4, CDK2, MAP3K15 MAP4K4 22/4885MAPK9 274/4885CSNK1D 669/4885
US-20080249305-A1 Novel imidazole based heterocycles MAP3K5, MAP3K15, MAP3K20 MAP4K4 25/4885MAPK9 249/4885CSNK1D 743/4885

“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.