SCHEMBL2925178

SCHEMBL2925178

CCS(=O)(=O)n1cc(CN(C)C)c2ccc(-c3nc(Nc4cc(C)[nH]n4)n4c(C)ccc4n3)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
AURKA O14965 5/20 0.32
AURKB Q96GD4 3/20 0.32
TYK2 P29597 3/20 0.31
JAK3 P52333 3/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 1/20 0.31
SYK P43405 4/20 0.30
SRC P12931 1/20 0.30
EIF2AK2 P19525 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30

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
SCHEMBL2924481 0.87 AURKA (0.33) CHEK1AURKAAURKBTYK2JAK3
SCHEMBL2918141 0.82 HTR6 (0.37) AURKAAURKBTYK2JAK3JAK2
SCHEMBL3042598 0.81 CHEK1 (0.34) CHEK1TYK2JAK3JAK2JAK1
SCHEMBL4180218 0.79 AURKA (0.38) AURKAAURKBSRCEIF2AK2GSK3A
SCHEMBL13221388 0.79 AURKA (0.35) AURKAAURKBTYK2JAK3JAK2
SCHEMBL13221645 0.78 AURKA (0.45) AURKAAURKBJAK2
SCHEMBL2925024 0.73 AURKA (0.38) AURKAAURKBSRCEIF2AK2GSK3A
SCHEMBL13242071 0.71 JAK3 (0.30) TYK2JAK3JAK2JAK1
SCHEMBL2918010 0.69 AURKA (0.37) AURKAAURKBTYK2JAK3JAK2
SCHEMBL19674860 0.66 CHEK1 (0.32) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812439-B2 KINASE INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-12-06 EP claimed
EP-1812439-B1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP claimed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US claimed
JP-2008516973-A 2008-05-22 JP claimed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP claimed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO claimed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 US claimed
EP-1812439-B2 KINASE INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-12-06 EP disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
EP-1812439-B1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHEK1 72/4885AURKA 161/4885AURKB 122/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CHEK1 72/4885AURKA 161/4885AURKB 122/4885

“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.