SCHEMBL2121503

SCHEMBL2121503

CCS(=O)(=O)c1cccc(-c2cc(C(=O)NCCCN(C)CCO)c(C)c3[nH]c4ncc(C)cc4c23)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.68
AURKA O14965 2/20 0.68
ABL1 P00519 2/20 0.68
NTRK1 P04629 2/20 0.68
LCK P06239 2/20 0.68
FYN P06241 2/20 0.68
RET P07949 2/20 0.68
PDGFRB P09619 2/20 0.68
FGFR1 P11362 2/20 0.68
MAP2K2 P36507 2/20 0.68
FLT3 P36888 2/20 0.68
CDK7 P50613 2/20 0.68
ACVR1 Q04771 2/20 0.68
PTK2 Q05397 2/20 0.68
BTK Q06187 2/20 0.68
TNK2 Q07912 2/20 0.68
PRKAA1 Q13131 2/20 0.68
STK3 Q13188 2/20 0.68
MAP4K5 Q9Y4K4 2/20 0.68
PLK4 O00444 1/20 0.68

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
SCHEMBL2122778 0.98 FGFR1 (0.67) AURKBAURKAABL1NTRK1LCK
SCHEMBL644444 0.94 ABL1 (0.68) AURKBAURKAABL1NTRK1LCK
SCHEMBL2121727 0.93 PLK4 (0.70) AURKBAURKAABL1NTRK1LCK
SCHEMBL2121467 0.92 AURKA (0.64) AURKBAURKAABL1NTRK1LCK
SCHEMBL646253 0.92 FYN (0.71) AURKBAURKAABL1NTRK1LCK
SCHEMBL644980 0.91 MAP3K11 (0.68) AURKBAURKAABL1NTRK1LCK
SCHEMBL2123386 0.91 AURKA (0.64) AURKBAURKAABL1NTRK1LCK
SCHEMBL2124416 0.91 PLK4 (0.62) AURKBAURKAABL1NTRK1LCK
SCHEMBL2121806 0.90 AURKA (0.58) AURKBAURKAABL1NTRK1LCK
SCHEMBL13156883 0.90 PLK4 (0.67) AURKBAURKAABL1NTRK1LCK

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 39 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
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
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO claimed
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
EP-2145877-B1 Aurora Kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2012-10-03 EP disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
US-8278450-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-02 US disclosed
EP-2079696-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-22 EP disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 US disclosed
US-20090156557-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2009-06-18 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

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-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 AURKB 154/4885AURKA 220/4885ABL1 27/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 AURKB 154/4885AURKA 220/4885ABL1 27/4885

“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.