SCHEMBL1355729

SCHEMBL1355729

COc1ccc(-n2ncc3cnc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4)nc32)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 6/20 0.50
JAK2 O60674 3/20 0.49
JAK3 P52333 3/20 0.49
BRD4 O60885 2/20 0.48
AURKA O14965 2/20 0.47
CDK4 P11802 1/20 0.47
TTK P33981 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EIF2AK4 Q9P2K8 1/20 0.45
JAK1 P23458 1/20 0.44
SYK P43405 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALK Q9UM73 1/20 0.44
EGFR P00533 1/20 0.44
KDR P35968 1/20 0.44
CDK2 P24941 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
SCHEMBL1355810 0.89 CDK4 (0.60) FGFR4BRD4AURKACDK4EGFR
SCHEMBL1355679 0.89 FGFR4 (0.56) FGFR4JAK2JAK3BRD4AURKA
SCHEMBL1353747 0.87 AURKA (0.58) FGFR4JAK2JAK3BRD4AURKA
SCHEMBL1356282 0.84 FLT3 (0.52) FGFR4AURKACDK4MAPTALDH1A1
SCHEMBL1355941 0.84 EIF2AK4 (0.54) JAK2JAK3AURKACDK4TTK
SCHEMBL1356000 0.83 AURKA (0.44) FGFR4AURKACDK4MAPTEIF2AK4
SCHEMBL1355905 0.79 EIF2AK4 (0.47) JAK2JAK3BRD4AURKACDK4
SCHEMBL1356733 0.78 CHRNA7 (0.47) CDK4MAPTEIF2AK4
SCHEMBL1353760 0.76 EGFR (0.65) FGFR4BRD4AURKACDK4EIF2AK4
SCHEMBL1355752 0.75 EIF2AK4 (0.62) FGFR4AURKACDK4MAPTALDH1A1

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 4 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

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 FGFR4 1543/4885JAK2 1365/4885JAK3 789/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 FGFR4 1543/4885JAK2 1365/4885JAK3 789/4885

“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.