SCHEMBL645387

SCHEMBL645387

CCS(=O)(=O)c1cccc(-c2ccc(OCC(F)(F)F)c3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.52
CHEK1 O14757 1/20 0.52
AURKA O14965 1/20 0.52
EPHB6 O15197 1/20 0.52
RPS6KA4 O75676 1/20 0.52
STK16 O75716 1/20 0.52
STK10 O94804 1/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
NTRK1 P04629 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
YES1 P07947 1/20 0.52
LYN P07948 1/20 0.52
RET P07949 1/20 0.52
HCK P08631 1/20 0.52
PDGFRB P09619 1/20 0.52
BCR P11274 1/20 0.52
FGFR1 P11362 1/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL645452 0.90 RET (0.55) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL3896304 0.88 PLK4 (0.54) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL3893781 0.88 NTRK1 (0.54) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL2612701 0.88 NTRK1 (0.55) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL645324 0.88 FLT3 (0.55) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL644675 0.87 FLT3 (0.54) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL3889616 0.87 NTRK1 (0.53) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL645356 0.87 PLK4 (0.53) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL12955044 0.86 PLK4 (0.52) PLK4CHEK1AURKAEPHB6RPS6KA4
SCHEMBL644178 0.86 FLT3 (0.54) 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318939-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US claimed
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
EP-2145878-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP claimed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP 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
US-20120252761-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-04 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008054956-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-05-08 WO disclosed
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO 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
WO-2007044779-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-04-19 WO 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 (3 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-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.