SCHEMBL3037063

SCHEMBL3037063

CC(=O)Nc1ccc(Sc2cc3nc(CN(C)C)cn3c(Nc3cc(C4CC4)[nH]n3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 7/20 0.51
SRC P12931 5/20 0.51
GSK3B P49841 2/20 0.51
IGF1R P08069 9/20 0.42
AURKA O14965 7/20 0.39
AURKC Q9UQB9 1/20 0.36
ABL1 P00519 1/20 0.36
YES1 P07947 1/20 0.36
HCK P08631 1/20 0.36

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
SCHEMBL13221256 0.92 AURKB (0.53) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL13221255 0.91 AURKB (0.52) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL13221238 0.90 AURKB (0.51) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL13221259 0.88 AURKB (0.49) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL13359639 0.84 AURKB (0.39) AURKBSRCGSK3BAURKAAURKC
SCHEMBL3033997 0.83 AURKB (0.52) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL3045091 0.83 AURKB (0.43) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL13221231 0.83 AURKB (0.43) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL3035031 0.81 SRC (0.51) AURKBSRCGSK3BIGF1RAURKA
SCHEMBL3038656 0.80 AURKB (0.42) AURKBSRCGSK3BIGF1RAURKA

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 17 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
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-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 AURKB 122/4885SRC 63/4885GSK3B 200/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKB 122/4885SRC 63/4885GSK3B 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.