SCHEMBL1353747

SCHEMBL1353747

COc1cccc(-n2ncc3cnc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4)nc32)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.58
CDK4 P11802 2/20 0.58
FGFR4 P22455 8/20 0.57
BRD4 O60885 3/20 0.55
JAK2 O60674 2/20 0.55
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
JAK3 P52333 2/20 0.51
BTK Q06187 1/20 0.51
LCK P06239 1/20 0.50
SRC P12931 1/20 0.50
KDR P35968 1/20 0.50
EGFR P00533 1/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
WEE1 P30291 1/20 0.48
TTK P33981 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
SCHEMBL1355679 0.91 FGFR4 (0.56) AURKACDK4FGFR4BRD4JAK2
SCHEMBL1355798 0.88 CDK4 (0.73) AURKACDK4FGFR4BRD4JAK2
SCHEMBL1355729 0.87 FGFR4 (0.50) AURKACDK4FGFR4BRD4JAK2
SCHEMBL1355852 0.86 FGFR4 (0.63) AURKACDK4FGFR4BRD4JAK2
SCHEMBL1356819 0.85 CDK4 (0.59) AURKACDK4FGFR4BRD4JAK2
SCHEMBL1356046 0.84 FLT3 (0.54) AURKACDK4FGFR4ALDH1A1EGFR
SCHEMBL1355910 0.83 FGFR4 (0.50) AURKACDK4FGFR4ALDH1A1EGFR
SCHEMBL1355529 0.80 EIF2AK4 (0.53) AURKACDK4BRD4ALDH1A1MAPT
SCHEMBL1356016 0.79 GSK3B (0.58) AURKACDK4FGFR4JAK2ALDH1A1
SCHEMBL1353760 0.78 EGFR (0.65) AURKACDK4FGFR4BRD4SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP disclosed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKA 9/4885CDK4 101/4885FGFR4 1543/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 AURKA 9/4885CDK4 101/4885FGFR4 1543/4885

“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.