SCHEMBL3042598

SCHEMBL3042598

CCS(=O)(=O)n1cc(CN(C)C)c2ccc(-c3cc4nc(C)cn4c(Nc4cc(C)[nH]n4)n3)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
JAK3 P52333 8/20 0.32
TYK2 P29597 3/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 1/20 0.31
SYK P43405 4/20 0.31
HTR6 P50406 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 0.83 AURKA (0.33) CHEK1GSK3AGSK3BJAK3TYK2
SCHEMBL3037823 0.83 HTR6 (0.37) GSK3AGSK3BJAK3TYK2JAK2
SCHEMBL2925178 0.81 CHEK1 (0.33) CHEK1GSK3AGSK3BJAK3TYK2
SCHEMBL4180218 0.77 AURKA (0.38) GSK3AGSK3B
SCHEMBL13221388 0.76 AURKA (0.35) GSK3AGSK3BJAK3TYK2JAK2
SCHEMBL13221351 0.76 GSK3A (0.38) GSK3AGSK3BJAK3TYK2JAK2
SCHEMBL13221329 0.76 GSK3B (0.37) GSK3AGSK3BJAK3TYK2JAK2
SCHEMBL13221645 0.75 AURKA (0.45) JAK2
SCHEMBL3042210 0.75 GSK3A (0.36) GSK3AGSK3BJAK3TYK2JAK2
SCHEMBL13221349 0.75 GSK3B (0.43) GSK3AGSK3B

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 CHEK1 72/4885GSK3A 217/4885GSK3B 200/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CHEK1 72/4885GSK3A 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.