SCHEMBL3274060

SCHEMBL3274060

Nc1ccc(-c2ccc(F)cc2)cc1-c1nnn[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
MAP4K4 O95819 3/20 0.35
HDAC2 Q92769 4/20 0.34
HDAC1 Q13547 4/20 0.34
ABL1 P00519 3/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
PAK4 O96013 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PRKACA P17612 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33

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
SCHEMBL13404775 0.86 JAK2 (0.41) IKBKBMAP4K4HDAC2HDAC1FGFR1
SCHEMBL3273740 0.85 IDO1 (0.44) IKBKBMAP4K4NTRK1METFGFR1
SCHEMBL3583617 0.85 SMN1; SMN2 (0.38) MAP4K4LRRK2IDO1LMNAMAPT
SCHEMBL3329979 0.84 KIF11 (0.41) MAP4K4HDAC2HDAC1MKNK1MKNK2
SCHEMBL3328060 0.81 SCN5A (0.38) ABL1GSK3BCDK2
SCHEMBL4025859 0.80 MKNK1 (0.44) IKBKBMAP4K4PTK2MKNK1MKNK2
SCHEMBL3584128 0.78 IKBKB (0.43) IKBKBIDO1
SCHEMBL3327827 0.77 KCNH2 (0.44) IKBKBCHUKLRRK2LMNAMAPT
SCHEMBL705663 0.76 NPC1 (0.40) MAP4K4PRKD3MAPK9CSNK1A1GSK3B
SCHEMBL4029897 0.76 LRRK2 (0.44) LRRK2CLK4CDK2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 US claimed
EP-2121569-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-11-25 EP claimed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 WO claimed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 US disclosed
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
EP-2152677-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-17 EP disclosed
EP-2121569-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-11-25 EP disclosed
WO-2008135447-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
EP-1638948-B1 DIPHENYLUREA DERIVATIVES AND THEIR USE AS CHLORIDE CHANNEL BLOCKERS NEUROSEARCH AS (DK) 2008-10-15 EP disclosed
WO-2008074755-A2 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-06-26 WO disclosed
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 US disclosed
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers NEUSEARCH A/S (DK) 2006-08-10 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 (4 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 IKBKB 124/4885CHUK 143/4885MAP4K4 503/4885
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS TRPV1, TRPA1, TRPM8 IKBKB 2425/4885CHUK 1494/4885MAP4K4 1421/4885
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ1, KCNN2 IKBKB 1723/4885CHUK 1103/4885MAP4K4 413/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 IKBKB 1011/4885CHUK 1345/4885MAP4K4 4089/4885

“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.