SCHEMBL3519701

SCHEMBL3519701

Cc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 11/20 0.58
CSNK1D P48730 11/20 0.58
PRKD2 Q9BZL6 9/20 0.58
LIMK1 P53667 3/20 0.58
RPS6KA3 P51812 1/20 0.58
DYRK1A Q13627 1/20 0.58
CSNK1A1 P48729 8/20 0.56
MAP4K4 O95819 8/20 0.56
MAPK8 P45983 7/20 0.56
PRKD3 O94806 7/20 0.56
MINK1 Q8N4C8 6/20 0.56
TAOK1 Q7L7X3 6/20 0.56
GSK3B P49841 5/20 0.56
MAP4K5 Q9Y4K4 4/20 0.56
CSNK1G2 P78368 4/20 0.56
CSNK1G3 Q9Y6M4 3/20 0.56
MAP3K20 Q9NYL2 2/20 0.56
CSNK1G1 Q9HCP0 2/20 0.56
FRK P42685 1/20 0.56
GSK3A P49840 1/20 0.56

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
SCHEMBL3522612 0.90 MAPK9 (0.58) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3524969 0.89 CSNK1E (0.71) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3525694 0.88 CSNK1E (0.71) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3525575 0.87 MAPK9 (0.45) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3519582 0.86 CSNK1E (0.50) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3525985 0.85 MAPK9 (0.62) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3527540 0.85 MAPK9 (0.44) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3523791 0.85 MAPK9 (0.51) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3523115 0.85 CSNK1E (0.49) MAPK9CSNK1DPRKD2LIMK1RPS6KA3
SCHEMBL3525223 0.85 GRIA1 (0.55) MAPK9CSNK1DPRKD2LIMK1RPS6KA3

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
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-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 (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 MAPK9 189/4885CSNK1D 281/4885PRKD2 413/4885

“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.