SCHEMBL3970178

SCHEMBL3970178

CN1CCN(CCCNc2nccc(-c3cc4ccc(CNC(=O)OC(C)(C)C)cc4s3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.46
IKBKB O14920 2/20 0.41
CHUK O15111 1/20 0.41
IKBKG Q9Y6K9 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
FGFR2 P21802 5/20 0.39
FGFR4 P22455 5/20 0.39
FGFR3 P22607 5/20 0.39
EGFR P00533 3/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
DRD2 P14416 1/20 0.38
SRC P12931 2/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
KDR P35968 2/20 0.37
PRKD3 O94806 1/20 0.37

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
SCHEMBL4075976 0.82 MKNK1 (0.45) FGFR1IKBKBCHUKIKBKGFGFR2
Hydrochloric Acid SCHEMBL3964587 0.82 JAK2 (0.41) FGFR1IKBKBCHUKIKBKGFGFR2
SCHEMBL3969552 0.78 AAK1 (0.44) IKBKB
SCHEMBL3963258 0.78 MKNK1 (0.46) FGFR1IKBKBCHUKIKBKGFGFR2
SCHEMBL3969427 0.78 IKBKB (0.53) FGFR1IKBKBCHUKIKBKGFGFR2
Hydrochloric Acid SCHEMBL3961561 0.77 IKBKB (0.52) FGFR1IKBKBCHUKIKBKGFGFR2
SCHEMBL3966819 0.75 FGFR1 (0.46) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL3966815 0.74 IKBKB (0.45) FGFR1IKBKBCHUKIKBKGEGFR
SCHEMBL3966593 0.74 FGFR1 (0.46) FGFR1FGFR2FGFR4FGFR3EGFR
SCHEMBL3965406 0.74 ACKR3 (0.44) FGFR1IKBKBCHUKIKBKGADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 EP disclosed
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 FGFR1 2268/4885IKBKB 2/4885CHUK 5/4885

“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.