SCHEMBL3040342

SCHEMBL3040342

Cc1cn2c(Nc3cc(C4CC4)[nH]n3)nc(Sc3ccc(NC(=O)c4cc(C)nn4C)cc3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.43
CDK2 P24941 3/20 0.43
GSK3B P49841 2/20 0.43
AURKB Q96GD4 2/20 0.42
SRC P12931 1/20 0.42
KDR P35968 5/20 0.40
MET P08581 1/20 0.40
IGF1R P08069 10/20 0.37
AURKA O14965 3/20 0.37
CCNE2 O96020 1/20 0.37
PDGFRB P09619 2/20 0.37
KIT P10721 2/20 0.37
FLT1 P17948 2/20 0.37
SPR P35270 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
SCHEMBL3027778 0.89 AURKB (0.42) CCNE1CDK2GSK3BAURKBSRC
SCHEMBL3044950 0.85 AURKB (0.42) CCNE1CDK2GSK3BAURKBSRC
SCHEMBL3038656 0.83 AURKB (0.42) CCNE1CDK2GSK3BAURKBSRC
SCHEMBL3044203 0.81 IGF1R (0.43) CCNE1CDK2GSK3BAURKBSRC
SCHEMBL3035031 0.79 SRC (0.51) CCNE1CDK2GSK3BAURKBSRC
SCHEMBL13221256 0.78 AURKB (0.53) CCNE1CDK2GSK3BAURKBSRC
SCHEMBL3042680 0.77 AURKB (0.55) GSK3BAURKBSRCKDRMET
SCHEMBL13221255 0.77 AURKB (0.52) CCNE1CDK2GSK3BAURKBSRC
SCHEMBL3037063 0.76 AURKB (0.51) GSK3BAURKBSRCIGF1RAURKA
SCHEMBL13221238 0.76 AURKB (0.51) CDK2GSK3BAURKBSRCIGF1R

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 CCNE1 639/4885CDK2 74/4885GSK3B 200/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 CCNE1 639/4885CDK2 74/4885GSK3B 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.