SCHEMBL3759854

SCHEMBL3759854

CN(C)S(=O)(=O)c1cccc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.59
CDK4 P11802 5/20 0.53
CCNE1 P24864 4/20 0.53
BRAF P15056 1/20 0.48
LCK P06239 2/20 0.47
FGFR1 P11362 2/20 0.47
FLT1 P17948 2/20 0.47
KDR P35968 2/20 0.47
FLT3 P36888 2/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
TAOK1 Q7L7X3 2/20 0.47
AURKB Q96GD4 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
PRKD3 O94806 1/20 0.47
CSF1R P07333 1/20 0.47
ROS1 P08922 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL3767176 0.90 CDK2 (0.62) CDK2CDK4CCNE1BRAFLCK
SCHEMBL3760568 0.81 CDK2 (0.74) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL3757034 0.81 CDK2 (0.66) CDK2CDK4CCNE1BRAFGSK3A
SCHEMBL3758735 0.80 CDK19 (0.65) CDK2CDK4CCNE1BRAFCDK19
SCHEMBL3755334 0.80 CDK19 (0.70) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL3755319 0.80 CDK2 (0.57) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL2431896 0.77 RAB9A (0.52) CDK2LCKFGFR1FLT1KDR
SCHEMBL3766246 0.76 CDK19 (0.51) CDK2CDK4CCNE1BRAFCDK19
SCHEMBL3769350 0.76 CDK2 (0.56) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL3760761 0.75 CDK2 (0.66) CDK2CDK4CCNE1SYKALDH1A1

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 disclosed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US 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
WO-2010138575-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
US-20100305118-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 (2 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 CDK2 2/4885CDK4 21/4885CCNE1 29/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 CDK2 3/4885CDK4 33/4885CCNE1 49/4885

“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.