SCHEMBL3758735

SCHEMBL3758735

CN(C)S(=O)(=O)c1cccc(Nc2nccc(-c3c(-c4ccc(OCc5ccccc5)cc4)nc4ccccn34)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 2/20 0.65
ALK Q9UM73 2/20 0.65
BRAF P15056 1/20 0.51
IGF1R P08069 10/20 0.48
INSR P06213 2/20 0.47
CDK2 P24941 4/20 0.46
CDK4 P11802 3/20 0.46
CCNE1 P24864 2/20 0.46
CDK1 P06493 1/20 0.45
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 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 0.92 CDK19 (0.63) CDK19ALKBRAFIGF1RINSR
SCHEMBL3716771 0.86 CDK19 (0.66) CDK19ALKBRAFIGF1RINSR
SCHEMBL3716630 0.86 CDK19 (0.87) CDK19ALKIGF1RINSRCDK2
SCHEMBL3719752 0.85 CDK19 (0.57) CDK19ALKBRAFIGF1RCDK2
SCHEMBL3760452 0.84 CDK19 (0.65) CDK19ALKBRAFIGF1RINSR
SCHEMBL3766246 0.83 CDK19 (0.51) CDK19ALKBRAFIGF1RINSR
SCHEMBL3766684 0.82 CDK19 (0.82) CDK19ALKIGF1RINSRCDK2
SCHEMBL3724787 0.81 CDK19 (0.81) CDK19ALKIGF1RINSREGFR
SCHEMBL3725893 0.80 CDK19 (0.59) CDK19ALKIGF1RCDK2CDK4
SCHEMBL3759854 0.80 CDK2 (0.59) CDK19ALKBRAFIGF1RCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 534/4885BRAF 283/4885

“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.