SCHEMBL4013041

SCHEMBL4013041

O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[se]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 1.00
AURKB Q96GD4 2/20 0.62
RET P07949 2/20 0.62
PDGFRB P09619 2/20 0.62
DAPK3 O43293 1/20 0.62
JAK2 O60674 1/20 0.62
MAP4K4 O95819 1/20 0.62
ABL1 P00519 1/20 0.62
NTRK1 P04629 1/20 0.62
LCK P06239 1/20 0.62
CSF1R P07333 1/20 0.62
MET P08581 1/20 0.62
PIM1 P11309 1/20 0.62
FGFR1 P11362 1/20 0.62
PDGFRA P16234 1/20 0.62
FLT1 P17948 1/20 0.62
LTK P29376 1/20 0.62
GRK5 P34947 1/20 0.62
KDR P35968 1/20 0.62
GSK3A P49840 1/20 0.62

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
SCHEMBL4013034 1.00 CHEK1 (1.00) CHEK1AURKBRETPDGFRBDAPK3
SCHEMBL4013531 0.83 CHEK1 (1.00) CHEK1
SCHEMBL4013533 0.83 CHEK1 (1.00) CHEK1
SCHEMBL4017256 0.80 CHEK1 (0.66) CHEK1RETPDGFRBPIM1FGFR1
SCHEMBL4017262 0.80 CHEK1 (0.66) CHEK1RETPDGFRBPIM1FGFR1
SCHEMBL4015964 0.75 CHEK1 (1.00) CHEK1AURKBRETPDGFRBDAPK3
SCHEMBL4015960 0.75 CHEK1 (1.00) CHEK1AURKBRETPDGFRBDAPK3
SCHEMBL4013040 0.72 CHEK1 (0.58) CHEK1AURKBRETPDGFRBDAPK3
SCHEMBL4014882 0.72 FLT3 (0.57) CHEK1PDGFRBKDRRPS6KA3ALK
SCHEMBL4014887 0.72 FLT3 (0.57) CHEK1PDGFRBKDRRPS6KA3ALK

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 120/4885AURKB 760/4885RET 355/4885

“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.