SCHEMBL647846

SCHEMBL647846

CCS(=O)(=O)c1cccc(-c2cc(CCCN)cc3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
ABL1 P00519 2/20 0.49
EGFR P00533 2/20 0.49
FYN P06241 2/20 0.49
LYN P07948 2/20 0.49
FGFR1 P11362 2/20 0.49
FLT3 P36888 2/20 0.49
PTK2 Q05397 2/20 0.49
STK3 Q13188 2/20 0.49
PTK2B Q14289 2/20 0.49
AURKB Q96GD4 2/20 0.49
SLK Q9H2G2 2/20 0.49
MAP4K5 Q9Y4K4 2/20 0.49
PLK4 O00444 1/20 0.49
CHEK1 O14757 1/20 0.49
EPHB6 O15197 1/20 0.49
RPS6KA4 O75676 1/20 0.49
STK16 O75716 1/20 0.49
STK10 O94804 1/20 0.49
NTRK1 P04629 1/20 0.49

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
SCHEMBL647084 0.87 CHEK1 (0.54) AURKAABL1EGFRFYNLYN
SCHEMBL647845 0.85 PLK4 (0.51) AURKAABL1EGFRFYNLYN
SCHEMBL647153 0.85 AURKA (0.51) AURKAABL1EGFRFYNLYN
SCHEMBL28779314 0.84 PLK4 (0.53) AURKAABL1EGFRFYNLYN
SCHEMBL645029 0.83 CDK9 (0.54) AURKAABL1EGFRFYNLYN
SCHEMBL645313 0.82 CDK9 (0.51) AURKAABL1EGFRFYNLYN
SCHEMBL645077 0.82 CHEK1 (0.54) AURKAABL1EGFRFYNLYN
SCHEMBL644220 0.81 PLK4 (0.55) AURKAABL1EGFRFYNLYN
SCHEMBL13515049 0.81 CHEK1 (0.53) AURKAABL1EGFRFYNLYN
SCHEMBL645095 0.81 MAP3K11 (0.58) AURKAABL1EGFRFYNLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US claimed
US-20070117816-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-24 US claimed
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-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-20120095233-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2012-04-19 US disclosed
US-8119655-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-21 US disclosed
EP-2133349-B1 Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2011-01-12 EP disclosed
US-20100331357-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-30 US disclosed
EP-2252291-A1 PHARMACEUTICAL COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2223925-A1 Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-09-01 EP disclosed
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
EP-2133349-A1 Kinase inhibitors Takeda San Diego, Inc. (US) 2009-12-16 EP disclosed
WO-2009107877-A1 PHARMACEUTICAL COMPOSITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 WO disclosed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20100331357-A1 PHARMACEUTICAL COMPOSITION ABCG2, GYS2, CEL AURKA 2328/4885ABL1 3499/4885EGFR 3762/4885
US-20120095233-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 AURKA 220/4885ABL1 27/4885EGFR 378/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKA 174/4885ABL1 27/4885EGFR 349/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 AURKA 220/4885ABL1 27/4885EGFR 378/4885
US-20090312288-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 AURKA 220/4885ABL1 27/4885EGFR 378/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKA 174/4885ABL1 27/4885EGFR 349/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 AURKA 220/4885ABL1 27/4885EGFR 378/4885

“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.