SCHEMBL4017262

SCHEMBL4017262

O=C1Nc2cc(Br)ccc2C1=Cc1ccc[se]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.66
KDR P35968 2/20 0.53
TGM2 P21980 1/20 0.48
RPS6KA3 P51812 1/20 0.45
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
SRC P12931 1/20 0.44
PIM1 P11309 2/20 0.43
PIM3 Q86V86 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
HSP90AA1 P07900 1/20 0.42
CCR6 P51684 1/20 0.42
PLK4 O00444 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL4017256 1.00 CHEK1 (0.66) CHEK1KDRTGM2RPS6KA3PDGFRB
SCHEMBL4013034 0.80 CHEK1 (1.00) CHEK1KDRRPS6KA3PDGFRBFGFR1
SCHEMBL4013041 0.80 CHEK1 (1.00) CHEK1KDRRPS6KA3PDGFRBFGFR1
SCHEMBL249651 0.77 MEN1 (0.58) KDRPDGFRBPIM1PLK4MEN1
SCHEMBL249650 0.77 MEN1 (0.58) KDRPDGFRBPIM1PLK4MEN1
SCHEMBL249353 0.76 PLK4 (0.55) KDRTGM2RPS6KA3PIM1PIM3
SCHEMBL2945563 0.76 PLK4 (0.55) KDRTGM2RPS6KA3PIM1PIM3
SCHEMBL4014882 0.76 FLT3 (0.57) CHEK1KDRRPS6KA3PDGFRBMEN1
SCHEMBL4014887 0.76 FLT3 (0.57) CHEK1KDRRPS6KA3PDGFRBMEN1
SCHEMBL396431 0.74 PDGFRB (0.71) CHEK1KDRRPS6KA3PDGFRBFGFR1

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 120/4885KDR 2756/4885TGM2 775/4885

“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.