SCHEMBL3767568

SCHEMBL3767568

COc1ccc(S(C)(=O)=O)cc1Nc1nccc(-c2c(-c3ccc(OCc4ccccc4)cc3)nc3ccccn23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 1/20 0.51
ALK Q9UM73 1/20 0.51
PTGS2 P35354 1/20 0.47
IGF1R P08069 11/20 0.45
INSR P06213 5/20 0.45
LCK P06239 3/20 0.45
AURKB Q96GD4 3/20 0.45
ABL1 P00519 2/20 0.45
FYN P06241 2/20 0.45
KDR P35968 2/20 0.45
BTK Q06187 2/20 0.45
MAPK14 Q16539 2/20 0.45
IKBKB O14920 1/20 0.45
AURKA O14965 1/20 0.45
CHUK O15111 1/20 0.45
RPS6KA4 O75676 1/20 0.45
PAK3 O75914 1/20 0.45
NTRK1 P04629 1/20 0.45
FES P07332 1/20 0.45
HCK P08631 1/20 0.45

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
SCHEMBL3771416 0.93 IGF1R (0.46) CDK19ALKIGF1RINSRLCK
SCHEMBL3725891 0.88 CDK19 (0.56) CDK19ALKIGF1RINSREGFR
SCHEMBL3719752 0.87 CDK19 (0.57) CDK19ALKPTGS2IGF1RIKBKB
SCHEMBL3762706 0.87 CDK19 (0.63) CDK19ALKPTGS2IGF1RINSR
SCHEMBL3756880 0.86 CDK19 (0.52) CDK19ALKIGF1RINSREGFR
SCHEMBL3719614 0.84 IGF1R (0.44) CDK19ALKIGF1RINSRLCK
SCHEMBL3761970 0.84 CDK19 (0.54) CDK19ALKIGF1RINSREGFR
SCHEMBL3766723 0.83 IGF1R (0.55) CDK19ALKIGF1RINSRLCK
SCHEMBL3759158 0.81 CDK2 (0.51) PTGS2IGF1RINSRLCKAURKB
SCHEMBL3716771 0.80 CDK19 (0.66) CDK19ALKIGF1RINSRSYK

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.