SCHEMBL4019294

SCHEMBL4019294

CCN(CC)CCNC(=O)c1cc(/C=C2\C(=O)Nc3cc(F)ccc32)[se]c1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.77
PRKAA1 Q13131 6/20 0.65
KDR P35968 5/20 0.65
PRKAA2 P54646 4/20 0.65
PLK4 O00444 2/20 0.56
DCLK1 O15075 2/20 0.56
PDPK1 O15530 2/20 0.56
DAPK3 O43293 2/20 0.56
ROCK2 O75116 2/20 0.56
RPS6KA5 O75582 2/20 0.56
RPS6KA4 O75676 2/20 0.56
MAP4K4 O95819 2/20 0.56
CHEK2 O96017 2/20 0.56
NTRK1 P04629 2/20 0.56
INSR P06213 2/20 0.56
LCK P06239 2/20 0.56
FYN P06241 2/20 0.56
FES P07332 2/20 0.56
CSF1R P07333 2/20 0.56
LYN P07948 2/20 0.56

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
SCHEMBL4019299 1.00 CHEK1 (0.77) CHEK1PRKAA1KDRPRKAA2PLK4
SCHEMBL4013804 0.93 CHEK1 (0.70) CHEK1PRKAA1KDRPRKAA2PLK4
SCHEMBL4013806 0.93 CHEK1 (0.70) CHEK1PRKAA1KDRPRKAA2PLK4
SCHEMBL4016918 0.87 CHEK1 (1.00) CHEK1
SCHEMBL4016913 0.87 CHEK1 (1.00) CHEK1
SCHEMBL4016416 0.86 CHEK1 (0.82) CHEK1PRKAA1KDRPRKAA2
SCHEMBL4016413 0.86 CHEK1 (0.82) CHEK1PRKAA1KDRPRKAA2
SCHEMBL4016660 0.85 CHEK1 (0.84) CHEK1
SCHEMBL4016657 0.85 CHEK1 (0.84) CHEK1
SCHEMBL4020905 0.84 CHEK1 (0.70) CHEK1PRKAA1KDRPRKAA2PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085040-A1 PROTEIN KINASE INHIBITORS DCB-USA LLC (US) 2009-07-09 WO disclosed
US-20090163494-A1 PROTEIN KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2009-06-25 US 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-20090163494-A1 PROTEIN KINASE INHIBITORS BRAF, MAP3K20, SELENOI CHEK1 120/4885PRKAA1 288/4885KDR 2756/4885

“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.