SCHEMBL3037823

SCHEMBL3037823

CCS(=O)(=O)n1ccc2ccc(-c3cc4nc(C)cn4c(Nc4cc(C)[nH]n4)n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.37
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
DRD2 P14416 3/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 1/20 0.32
AURKB Q96GD4 2/20 0.32
BPTF Q12830 1/20 0.32
JAK3 P52333 8/20 0.32
TYK2 P29597 4/20 0.32
JAK2 O60674 3/20 0.32
SYK P43405 1/20 0.31
IGF1R P08069 1/20 0.31
JAK1 P23458 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL3042598 0.83 CHEK1 (0.34) HTR6GSK3AGSK3BJAK3TYK2
SCHEMBL2918010 0.81 AURKA (0.37) HTR6GSK3AGSK3BDRD2HTR2A
SCHEMBL13221349 0.80 GSK3B (0.43) GSK3AGSK3BAURKB
SCHEMBL3037557 0.79 GSK3A (0.39) GSK3AGSK3BAURKBJAK3TYK2
SCHEMBL13221315 0.78 GSK3A (0.41) GSK3AGSK3BAURKBJAK2SYK
SCHEMBL13221336 0.78 KMT2A (0.44) GSK3AGSK3B
SCHEMBL3041025 0.78 GSK3A (0.38) GSK3AGSK3BAURKBJAK3TYK2
SCHEMBL13221325 0.78 GSK3B (0.54) GSK3AGSK3BAURKBIGF1R
SCHEMBL3042602 0.78 GSK3A (0.38) GSK3AGSK3BAURKBSYKIGF1R
SCHEMBL2918141 0.77 HTR6 (0.37) HTR6GSK3AGSK3BDRD2HTR2A

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
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US claimed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US claimed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US 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
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 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 2795/4885GSK3A 217/4885GSK3B 200/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 HTR6 2795/4885GSK3A 217/4885GSK3B 200/4885

“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.