SCHEMBL2918010

SCHEMBL2918010

CCS(=O)(=O)n1ccc2ccc(-c3nc(Nc4cc(C)[nH]n4)n4cccc4n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.37
AURKB Q96GD4 5/20 0.37
HTR6 P50406 5/20 0.37
DRD2 P14416 3/20 0.35
HTR2A P28223 2/20 0.35
GSK3B P49841 3/20 0.34
SRC P12931 2/20 0.34
GSK3A P49840 2/20 0.34
EIF2AK2 P19525 1/20 0.34
HTR7 P34969 1/20 0.34
JAK2 O60674 3/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
ITK Q08881 1/20 0.33
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
RET P07949 2/20 0.32

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
SCHEMBL2918141 0.86 HTR6 (0.37) AURKAAURKBHTR6DRD2HTR2A
SCHEMBL2924481 0.83 AURKA (0.33) AURKAAURKBHTR6GSK3BSRC
SCHEMBL3037823 0.81 HTR6 (0.37) AURKBHTR6DRD2HTR2AGSK3B
SCHEMBL2919416 0.80 AURKA (0.38) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL13221384 0.79 JAK2 (0.49) AURKAAURKBJAK2
SCHEMBL2916720 0.79 SYK (0.41) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL2924820 0.78 AURKA (0.54) AURKAAURKBGSK3BSRCGSK3A
SCHEMBL4179393 0.76 AURKA (0.44) AURKAAURKBHTR6GSK3BSRC
SCHEMBL4182422 0.76 AURKA (0.48) AURKAAURKBHTR6GSK3BSRC
SCHEMBL13175816 0.75 AURKA (0.38) AURKAAURKBHTR6GSK3BSRC

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

“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.