SCHEMBL13255649

SCHEMBL13255649

CNCCNC(=O)c1cc(-c2cccc(S(C)(=O)=O)c2)c2c([nH]c3ncc(C)cc32)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.61
BTK Q06187 2/20 0.61
CHEK1 O14757 2/20 0.61
AURKA O14965 2/20 0.61
ABL1 P00519 2/20 0.61
EGFR P00533 2/20 0.61
FYN P06241 2/20 0.61
LYN P07948 2/20 0.61
FGFR1 P11362 2/20 0.61
FLT3 P36888 2/20 0.61
PTK2 Q05397 2/20 0.61
STK3 Q13188 2/20 0.61
PTK2B Q14289 2/20 0.61
AURKB Q96GD4 2/20 0.61
SLK Q9H2G2 2/20 0.61
MAP4K5 Q9Y4K4 2/20 0.61
PLK4 O00444 2/20 0.61
EPHB6 O15197 1/20 0.61
RPS6KA4 O75676 1/20 0.61
STK16 O75716 1/20 0.61

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
SCHEMBL645958 0.93 CHEK1 (0.70) TBK1BTKCHEK1AURKAABL1
SCHEMBL646253 0.86 FYN (0.71) TBK1BTKCHEK1AURKAABL1
SCHEMBL2121727 0.85 PLK4 (0.70) TBK1BTKCHEK1AURKAABL1
SCHEMBL644606 0.84 PLK4 (0.69) TBK1BTKCHEK1AURKAABL1
SCHEMBL13330071 0.84 CHEK1 (0.53) TBK1BTKCHEK1AURKAABL1
SCHEMBL644980 0.84 MAP3K11 (0.68) TBK1BTKCHEK1AURKAABL1
SCHEMBL2121304 0.83 BTK (0.68) TBK1BTKCHEK1AURKAABL1
SCHEMBL2123073 0.83 BTK (0.68) TBK1BTKCHEK1AURKAABL1
SCHEMBL2123032 0.83 BTK (0.68) TBK1BTKCHEK1AURKAABL1
SCHEMBL644444 0.83 ABL1 (0.68) TBK1BTKCHEK1AURKAABL1

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-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 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-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 TBK1 361/4885BTK 112/4885CHEK1 57/4885

“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.