SCHEMBL4084708

SCHEMBL4084708

Cc1cnc(NCCCN2CCNCC2)nc1-c1cc2c(C(=O)O)cccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 11/20 0.39
SIK2 Q9H0K1 1/20 0.37
STK26 Q9P289 1/20 0.37
STK24 Q9Y6E0 1/20 0.37
IKBKB O14920 1/20 0.37
EGFR P00533 3/20 0.36
FGFR2 P21802 3/20 0.36
FGFR4 P22455 3/20 0.36
FGFR3 P22607 3/20 0.36
SRC P12931 2/20 0.36
LCK P06239 2/20 0.36
CSNK2A1 P68400 1/20 0.36
CSF1R P07333 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35

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
SCHEMBL3963552 0.90 FGFR1 (0.42) FGFR1SIK2STK26STK24EGFR
SCHEMBL3966717 0.88 FLT3 (0.40) FGFR1LCKCSNK2A1
Hydrochloric Acid SCHEMBL4081024 0.86 CCND1 (0.38) FGFR1SIK2STK26STK24EGFR
SCHEMBL3964461 0.85 ICAM1 (0.46) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3968733 0.84 IKBKB (0.43) FGFR1IKBKBSRCPRKD3
Hydrochloric Acid SCHEMBL3969902 0.84 ICAM1 (0.46) FGFR1EGFRFGFR2FGFR4FGFR3
SCHEMBL3969374 0.84 LCK (0.41) FGFR1SIK2STK26STK24IKBKB
SCHEMBL3965486 0.84 FGFR1 (0.50) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3961916 0.83 FGFR1 (0.49) FGFR1EGFRFGFR2FGFR4FGFR3
Hydrochloric Acid SCHEMBL3971656 0.83 FGFR1 (0.42) FGFR1SIK2STK26STK24EGFR

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 FGFR1 2268/4885SIK2 584/4885STK26 346/4885

“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.