SCHEMBL3767176

SCHEMBL3767176

CS(=O)(=O)c1cccc(Nc2nccc(-c3c(Cl)nc4ccccn34)n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.62
CDK4 P11802 2/20 0.56
CCNE1 P24864 2/20 0.56
ACVR1 Q04771 3/20 0.56
LCK P06239 2/20 0.56
FGFR1 P11362 2/20 0.56
FLT1 P17948 2/20 0.56
KDR P35968 2/20 0.56
FLT3 P36888 2/20 0.56
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
TAOK1 Q7L7X3 2/20 0.56
AURKB Q96GD4 2/20 0.56
CLK4 Q9HAZ1 2/20 0.56
CDK9 P50750 2/20 0.56
AURKA O14965 1/20 0.56
MAP4K4 O95819 1/20 0.56
ABL1 P00519 1/20 0.56
MET P08581 1/20 0.56
PDGFRB P09619 1/20 0.56

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
SCHEMBL3759854 0.90 CDK2 (0.59) CDK2CDK4CCNE1ACVR1LCK
SCHEMBL3757034 0.89 CDK2 (0.66) CDK2CDK4CCNE1GSK3AGSK3B
SCHEMBL3760568 0.83 CDK2 (0.74) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL3759158 0.83 CDK2 (0.51) CDK2CDK4CCNE1ACVR1LCK
SCHEMBL3762706 0.79 CDK19 (0.63) CDK2CDK4CCNE1ACVR1LCK
SCHEMBL3755334 0.79 CDK19 (0.70) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL3755319 0.78 CDK2 (0.57) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL3760761 0.77 CDK2 (0.66) CDK2CDK4CCNE1SYKIGF1R
SCHEMBL3765211 0.77 CAMK2D (0.61) CDK2CDK4CCNE1LCKFGFR1
SCHEMBL12996153 0.77 CDK2 (0.58) CDK2CDK4CCNE1LCKFGFR1

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-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US 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 (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.