SCHEMBL4094730

SCHEMBL4094730

CNC(=O)c1cccc2sc(-c3nc(NCCCN4CCNC[C@@H]4C)ncc3C)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.37
MERTK Q12866 1/20 0.37
GAS6 Q14393 1/20 0.37
FGFR1 P11362 3/20 0.33
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
CCNT1 O60563 2/20 0.33
CDK2 P24941 2/20 0.33
CDK9 P50750 2/20 0.33
QPCT Q16769 1/20 0.33
CCNK O75909 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
LCK P06239 1/20 0.32
MET P08581 4/20 0.32
ALK Q9UM73 4/20 0.32

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
SCHEMBL3967576 1.00 FLT3 (0.37) FLT3MERTKGAS6FGFR1PDK1
SCHEMBL3967583 1.00 FLT3 (0.37) FLT3MERTKGAS6FGFR1PDK1
SCHEMBL4090204 0.93 MERTK (0.41) FLT3MERTKGAS6FGFR1CCNT1
SCHEMBL3966717 0.93 FLT3 (0.40) FLT3MERTKGAS6FGFR1PDK1
Hydrochloric Acid SCHEMBL3965512 0.92 MERTK (0.40) FLT3MERTKGAS6FGFR1CCNT1
SCHEMBL3961904 0.92 MET (0.38) FLT3MERTKGAS6FGFR1CCNT1
SCHEMBL3961902 0.92 MET (0.38) FLT3MERTKGAS6FGFR1CCNT1
SCHEMBL3965641 0.89 MERTK (0.39) FLT3MERTKGAS6PDK1PDK2
Hydrochloric Acid SCHEMBL3962128 0.88 ICAM1 (0.36) FGFR1PDK1PDK2PDK3PDK4
Hydrochloric Acid SCHEMBL3962133 0.88 ICAM1 (0.36) FGFR1PDK1PDK2PDK3PDK4

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
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG FLT3 706/4885MERTK 802/4885GAS6 4259/4885

“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.