SCHEMBL3719752

SCHEMBL3719752

CS(=O)(=O)c1ccc(Nc2nccc(-c3c(-c4ccc(OCc5ccccc5)cc4)nc4ccccn34)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 2/20 0.57
ALK Q9UM73 2/20 0.57
PTGS2 P35354 1/20 0.56
CDK2 P24941 9/20 0.54
CDK4 P11802 5/20 0.54
CCNE1 P24864 2/20 0.50
BRAF P15056 2/20 0.49
IKBKB O14920 2/20 0.49
CDK1 P06493 3/20 0.48
SYK P43405 1/20 0.47
NR1I3 Q14994 1/20 0.47
IGF1R P08069 2/20 0.45
EGFR P00533 1/20 0.44
CYP3A4 P08684 1/20 0.44
JAK3 P52333 1/20 0.44
MAPK10 P53779 1/20 0.44
KCNH2 Q12809 1/20 0.44
ERBB4 Q15303 1/20 0.44

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
SCHEMBL3762706 0.91 CDK19 (0.63) CDK19ALKPTGS2CDK2CDK4
SCHEMBL3716771 0.90 CDK19 (0.66) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3725893 0.88 CDK19 (0.59) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3767568 0.87 CDK19 (0.51) CDK19ALKPTGS2BRAFIKBKB
SCHEMBL3758735 0.85 CDK19 (0.65) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3760388 0.83 CDK19 (0.58) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3725891 0.81 CDK19 (0.56) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3758742 0.81 CDK19 (0.56) CDK19ALKCDK2CDK4CCNE1
SCHEMBL3721467 0.81 CDK2 (0.51) CDK19ALKPTGS2CDK2CDK4
SCHEMBL3716630 0.80 CDK19 (0.87) CDK19ALKCDK2CDK4CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP claimed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US claimed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US claimed
EP-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 US 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 CDK19 53/4885ALK 534/4885PTGS2 3305/4885

“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.