SCHEMBL3889840

SCHEMBL3889840

Cc1cnc2[nH]c3c(OCCCI)ccc(-c4cccc(S(=O)(=O)C5CC5)c4)c3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
AURKA O14965 1/20 0.46
EPHB6 O15197 1/20 0.46
RPS6KA4 O75676 1/20 0.46
STK16 O75716 1/20 0.46
STK10 O94804 1/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
YES1 P07947 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
HCK P08631 1/20 0.46
PDGFRB P09619 1/20 0.46
BCR P11274 1/20 0.46
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46

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
SCHEMBL4297764 0.92 FLT3 (0.48) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL3896258 0.91 NTRK1 (0.47) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL2124005 0.90 FLT3 (0.45) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL3891257 0.90 PLK4 (0.48) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL3891318 0.88 PLK4 (0.47) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL2122105 0.88 FLT3 (0.47) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL3891706 0.88 CDK9 (0.48) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL3038032 0.87 PLK4 (0.43) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL2122284 0.86 PDGFRB (0.48) NTRK1PLK4CHEK1AURKAEPHB6
SCHEMBL2122663 0.86 FLT3 (0.46) NTRK1PLK4CHEK1AURKAEPHB6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US claimed
WO-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 WO claimed
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
US-20090312288-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-17 US disclosed
WO-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 WO disclosed
WO-2009129401-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 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 (1 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-20090312288-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 NTRK1 702/4885PLK4 308/4885CHEK1 52/4885

“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.