SCHEMBL3273740

SCHEMBL3273740

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.44
MAP4K4 O95819 6/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALPL P05186 1/20 0.38
BACE1 P56817 1/20 0.36
PDE5A O76074 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 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
SCHEMBL1463479 0.87 IDO1 (0.57) IDO1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL13404775 0.86 JAK2 (0.41) MAP4K4BACE1JAK2FGFR1GSK3B
SCHEMBL3274060 0.85 IKBKB (0.35) IDO1MAP4K4MKNK1MKNK2NTRK1
SCHEMBL3583617 0.85 SMN1; SMN2 (0.38) IDO1MAP4K4ALDH1A1CYP3A4TSHR
SCHEMBL3329979 0.81 KIF11 (0.41) MAP4K4MKNK1MKNK2
SCHEMBL4025859 0.80 MKNK1 (0.44) MAP4K4MKNK1MKNK2IKBKB
SCHEMBL3328060 0.78 SCN5A (0.38) GSK3BKCNH2
SCHEMBL1308358 0.78 IDO1 (0.41) IDO1FLT3ALDH1A1CYP3A4TSHR
SCHEMBL3327827 0.77 KCNH2 (0.44) JAK2ALDH1A1KCNH2IKBKB
SCHEMBL491311 0.77 AHR (0.41) MAP4K4MKNK1MKNK2ALPLMAPK1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155700-B1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH AS (DK) 2010-10-06 EP disclosed
US-20100144809-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S (DK) 2010-06-10 US disclosed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION 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-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-08 US disclosed
WO-2008135447-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
WO-2008135447-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
WO-2008135448-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
WO-2008135448-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-13 WO disclosed
WO-2008135591-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL 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
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 (6 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 IDO1 2784/4885MAP4K4 503/4885MKNK1 2495/4885
US-20100137387-A1 BETA-KETO-AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS KCNAB1, KCNJ2, KCNN3 IDO1 4173/4885MAP4K4 598/4885MKNK1 409/4885
US-20100087496-A1 NOVEL CINNAMIC AMIDE DERIVATIVES USEFUL AS ION CHANNEL MODULATORS TRPV1, TRPA1, TRPM8 IDO1 4497/4885MAP4K4 1421/4885MKNK1 2876/4885
US-20100144809-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNB2, KCNN1, KCNB1 IDO1 1114/4885MAP4K4 479/4885MKNK1 1480/4885
US-20100137381-A1 ACETAMIDE DERIVATIVES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ1, KCNN2 IDO1 4391/4885MAP4K4 413/4885MKNK1 720/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 IDO1 3388/4885MAP4K4 4089/4885MKNK1 4301/4885

“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.