SCHEMBL3043630

SCHEMBL3043630

Cc1cn2c(Nc3cc(C)[nH]n3)nc(Sc3ccc(NC(=O)C4CCCO4)cc3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 10/20 0.45
AURKA O14965 10/20 0.45
AURKC Q9UQB9 5/20 0.45
PLK4 O00444 3/20 0.45
SRC P12931 2/20 0.44
RIPK1 Q13546 2/20 0.44
BMPR1B O00238 1/20 0.44
STK25 O00506 1/20 0.44
RIOK3 O14730 1/20 0.44
CHEK1 O14757 1/20 0.44
GAK O14976 1/20 0.44
MUSK O15146 1/20 0.44
EPHB6 O15197 1/20 0.44
PDPK1 O15530 1/20 0.44
MAP3K13 O43283 1/20 0.44
DAPK3 O43293 1/20 0.44
MAP3K7 O43318 1/20 0.44
NUAK1 O60285 1/20 0.44
JAK2 O60674 1/20 0.44
ERN1 O75460 1/20 0.44

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
SCHEMBL3043627 1.00 AURKB (0.45) AURKBAURKAAURKCPLK4SRC
SCHEMBL3037858 0.89 AURKB (0.45) AURKBAURKAAURKCPLK4SRC
SCHEMBL3042680 0.88 AURKB (0.55) AURKBAURKAAURKCPLK4SRC
SCHEMBL3044546 0.83 AURKB (0.60) AURKBAURKAAURKCSRCABL1
SCHEMBL13220901 0.80 AURKB (0.56) AURKBAURKAAURKCPLK4SRC
SCHEMBL3042700 0.79 AURKA (0.45) AURKBAURKAAURKCSRCGSK3B
SCHEMBL3040411 0.79 AURKB (0.53) AURKBAURKAAURKCPLK4SRC
SCHEMBL3037610 0.79 AURKB (0.53) AURKBAURKAAURKCPLK4SRC
SCHEMBL13220890 0.79 AURKB (0.55) AURKBAURKAAURKCPLK4SRC
SCHEMBL3037323 0.79 MAPT (0.45) AURKBAURKAAURKCSRCGSK3B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 AURKB 122/4885AURKA 161/4885AURKC 56/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKB 122/4885AURKA 161/4885AURKC 56/4885

“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.