SCHEMBL644598

SCHEMBL644598

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.51
PDGFRB P09619 3/20 0.51
BTK Q06187 2/20 0.51
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
EPHB6 O15197 1/20 0.51
RPS6KA4 O75676 1/20 0.51
STK16 O75716 1/20 0.51
STK10 O94804 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
NTRK1 P04629 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51
HCK P08631 1/20 0.51
BCR P11274 1/20 0.51

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
SCHEMBL644599 1.00 FLT3 (0.51) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL645394 0.96 FLT3 (0.51) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL645395 0.96 FLT3 (0.51) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL645389 0.92 AURKB (0.42) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL645390 0.92 AURKB (0.42) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL13803070 0.88 AURKB (0.42) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL646720 0.88 FLT3 (0.51) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL644178 0.87 FLT3 (0.54) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL3891600 0.87 FLT3 (0.54) FLT3PDGFRBBTKPLK4CHEK1
SCHEMBL646323 0.87 FLT3 (0.50) FLT3PDGFRBBTKPLK4CHEK1

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 27 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
EP-2145878-A2 Aurora Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-01-20 EP 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-2223925-A1 Kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2010-09-01 EP disclosed
WO-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 WO disclosed
EP-2081930-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2009-07-29 EP 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
EP-1931669-A1 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2008-06-18 EP 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
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 (6 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 FLT3 1540/4885PDGFRB 2252/4885BTK 547/4885
US-20120095233-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 FLT3 170/4885PDGFRB 520/4885BTK 143/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 FLT3 209/4885PDGFRB 512/4885BTK 112/4885
US-20090156557-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 FLT3 170/4885PDGFRB 520/4885BTK 143/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 FLT3 209/4885PDGFRB 512/4885BTK 112/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 FLT3 170/4885PDGFRB 520/4885BTK 143/4885

“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.