SCHEMBL3529133

SCHEMBL3529133

COc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3cccc(Cl)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.47
EGFR P00533 1/20 0.47
CYP3A4 P08684 1/20 0.47
JAK3 P52333 1/20 0.47
MAPK10 P53779 1/20 0.47
KCNH2 Q12809 1/20 0.47
ERBB4 Q15303 1/20 0.47
CSNK1E P49674 2/20 0.44
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
CSNK1A1 P48729 2/20 0.42
CSNK1D P48730 2/20 0.42
LIMK1 P53667 2/20 0.42
TAOK1 Q7L7X3 2/20 0.42
PRKD2 Q9BZL6 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPK14 Q16539 1/20 0.42
GRIA1 P42261 2/20 0.41

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
SCHEMBL3527813 0.89 EGFR (0.47) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL3522329 0.86 MAPK9 (0.48) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL3525318 0.78 MAPK9 (0.61) EGFRCSNK1EPRKD3MAP4K4MAPK8
SCHEMBL3526366 0.75 BRAF (0.51) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL3522612 0.73 MAPK9 (0.58) CSNK1EPRKD3MAP4K4MAPK8MAPK9
SCHEMBL3525223 0.73 GRIA1 (0.55) CSNK1EPRKD3MAP4K4MAPK8MAPK9
SCHEMBL12023947 0.71 BRAF (0.78) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL3519701 0.70 MAPK9 (0.58) EGFRCSNK1EPRKD3MAP4K4MAPK8
SCHEMBL14561140 0.70 BRAF (0.46) BRAFEGFRCYP3A4JAK3MAPK10
SCHEMBL3523791 0.69 MAPK9 (0.51) BRAFEGFRCYP3A4JAK3MAPK10

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
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
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 BRAF 49/4885EGFR 785/4885CYP3A4 1020/4885

“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.