SCHEMBL2918141

SCHEMBL2918141

CCS(=O)(=O)n1ccc2ccc(-c3nc(Nc4cc(C)[nH]n4)n4c(C)ccc4n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.37
AURKA O14965 6/20 0.35
AURKB Q96GD4 5/20 0.35
DRD2 P14416 3/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 1/20 0.32
SRC P12931 2/20 0.32
GSK3B P49841 2/20 0.32
EIF2AK2 P19525 1/20 0.32
GSK3A P49840 1/20 0.32
TYK2 P29597 4/20 0.32
JAK3 P52333 4/20 0.32
JAK2 O60674 2/20 0.32
ITK Q08881 1/20 0.31
JAK1 P23458 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
RET P07949 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
SCHEMBL2918010 0.86 AURKA (0.37) HTR6AURKAAURKBDRD2HTR2A
SCHEMBL2925178 0.82 CHEK1 (0.33) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL2925024 0.78 AURKA (0.38) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL3037823 0.77 HTR6 (0.37) HTR6AURKBDRD2HTR2AHTR7
SCHEMBL4179393 0.76 AURKA (0.44) HTR6AURKAAURKBSRCGSK3B
SCHEMBL4182422 0.76 AURKA (0.48) HTR6AURKAAURKBSRCGSK3B
SCHEMBL13221384 0.75 JAK2 (0.49) AURKAAURKBJAK2
SCHEMBL13175816 0.75 AURKA (0.38) HTR6AURKAAURKBSRCGSK3B
SCHEMBL2924481 0.70 AURKA (0.33) HTR6AURKAAURKBSRCGSK3B
SCHEMBL13242185 0.68 HTR6 (0.33) HTR6DRD2HTR2ATYK2JAK3

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 14 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
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 HTR6 2795/4885AURKA 161/4885AURKB 122/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 HTR6 2795/4885AURKA 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.