SCHEMBL645470

SCHEMBL645470

CCN1CCC(NC(=O)c2cc(-c3cccc(S(=O)(=O)CC)c3)c3c([nH]c4ncc(C)cc43)c2C)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.87
CHEK1 O14757 1/20 0.87
AURKA O14965 1/20 0.87
EPHB6 O15197 1/20 0.87
RPS6KA4 O75676 1/20 0.87
STK16 O75716 1/20 0.87
STK10 O94804 1/20 0.87
ABL1 P00519 1/20 0.87
EGFR P00533 1/20 0.87
NTRK1 P04629 1/20 0.87
LCK P06239 1/20 0.87
FYN P06241 1/20 0.87
YES1 P07947 1/20 0.87
LYN P07948 1/20 0.87
RET P07949 1/20 0.87
HCK P08631 1/20 0.87
PDGFRB P09619 1/20 0.87
BCR P11274 1/20 0.87
FGFR1 P11362 1/20 0.87
SRC P12931 1/20 0.87

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
SCHEMBL2124762 0.94 TGFBR1 (0.86) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL29551559 0.93 FLT3 (1.00) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL645679 0.93 FLT3 (1.00) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL29478939 0.93 FLT3 (1.00) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL29389353 0.93 FLT3 (1.00) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL2123148 0.93 FLT3 (0.98) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL646980 0.93 FLT3 (0.98) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL2125658 0.92 FLT3 (0.97) PLK4CHEK1AURKAEPHB6RPS6KA4
Tak-901 SCHEMBL2122890 0.92 FLT3 (0.97) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL646468 0.91 FLT3 (0.85) PLK4CHEK1AURKAEPHB6RPS6KA4

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP claimed
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 US claimed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2145877-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP claimed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP claimed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US claimed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP claimed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO claimed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO claimed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US disclosed
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO 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 (4 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-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PLK4 261/4885CHEK1 57/4885AURKA 174/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PLK4 308/4885CHEK1 52/4885AURKA 220/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 PLK4 261/4885CHEK1 57/4885AURKA 174/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 PLK4 308/4885CHEK1 52/4885AURKA 220/4885

“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.