SCHEMBL645755

SCHEMBL645755

CCN(CC)CCOc1ccc(-c2cccc(S(=O)(=O)CC)c2)c2c1[nH]c1ncc(Cl)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.42
LYN P07948 2/20 0.42
SRC P12931 2/20 0.42
AURKA O14965 2/20 0.42
AURKB Q96GD4 2/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
EPHB6 O15197 1/20 0.42
RPS6KA4 O75676 1/20 0.42
STK16 O75716 1/20 0.42
STK10 O94804 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
YES1 P07947 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL645094 0.92 FLT3 (0.42) FLT3LYNSRCAURKAAURKB
SCHEMBL2123799 0.91 FLT3 (0.40) FLT3LYNSRCAURKAAURKB
SCHEMBL3891402 0.91 AURKA (0.44) FLT3LYNSRCAURKAAURKB
SCHEMBL645331 0.90 FYN (0.42) FLT3LYNSRCAURKAAURKB
SCHEMBL645355 0.90 AURKA (0.45) FLT3LYNSRCAURKAAURKB
Hydrochloric Acid SCHEMBL645662 0.89 FYN (0.41) FLT3LYNSRCAURKAAURKB
SCHEMBL2121496 0.89 AURKA (0.43) FLT3LYNSRCAURKAAURKB
SCHEMBL2122263 0.89 FLT3 (0.40) FLT3LYNSRCAURKAAURKB
SCHEMBL644413 0.88 AURKA (0.44) FLT3LYNSRCAURKAAURKB
SCHEMBL2124056 0.88 AURKA (0.42) FLT3LYNSRCAURKAAURKB

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 52 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-20120095233-A1 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2012-04-19 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
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
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-20120095233-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 FLT3 170/4885LYN 248/4885SRC 66/4885
US-20070117816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 FLT3 209/4885LYN 241/4885SRC 64/4885
US-20100190816-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 FLT3 209/4885LYN 241/4885SRC 64/4885
US-20120252761-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 FLT3 170/4885LYN 248/4885SRC 66/4885

“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.