SCHEMBL3329979

SCHEMBL3329979

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.41
HDAC2 Q92769 2/20 0.38
MAP4K4 O95819 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
TDP2 O95551 1/20 0.35
HDAC1 Q13547 1/20 0.35
GFER P55789 1/20 0.34

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
SCHEMBL6777326 0.89 KIF11 (0.44) KIF11HDAC2MAP4K4MKNK1MKNK2
SCHEMBL3584128 0.88 IKBKB (0.43) KIF11
SCHEMBL3274060 0.84 IKBKB (0.35) HDAC2MAP4K4MKNK1MKNK2HDAC1
SCHEMBL13298692 0.83 KIF11 (0.41) KIF11HDAC2MAP4K4TDP2
SCHEMBL3328060 0.83 SCN5A (0.38)
SCHEMBL13404775 0.82 JAK2 (0.41) HDAC2MAP4K4HDAC1
SCHEMBL3273740 0.81 IDO1 (0.44) MAP4K4MKNK1MKNK2
SCHEMBL3583617 0.81 SMN1; SMN2 (0.38) MAP4K4
SCHEMBL11357927 0.80 FEN1 (0.39) KIF11GFER
SCHEMBL23916410 0.80 KIF11 (0.44) KIF11MAP4K4MKNK1MKNK2GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144809-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEURO SEARCH A/S (DK) 2010-06-10 US disclosed
US-20100137327-A1 NOVEL SEMICARBAZIDE AND CARBONYLHYDRAZIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-20100137327-A1 NOVEL SEMICARBAZIDE AND CARBONYLHYDRAZIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
US-7691891-B2 Diphenylurea derivatives and their use as chloride channel blockers NEUROSEARCH A/S (DK) 2010-04-06 US disclosed
EP-2146971-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-01-27 EP 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-2008087177-A1 NOVEL SEMICARBAZIDE AND CARBONYLHYDRAZIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-07-24 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 KIF11 2164/4885HDAC2 1653/4885MAP4K4 503/4885
US-20100144809-A1 NOVEL BENZAMIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNB2, KCNN1, KCNB1 KIF11 2689/4885HDAC2 661/4885MAP4K4 479/4885
US-20100137327-A1 NOVEL SEMICARBAZIDE AND CARBONYLHYDRAZIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNN3, KCND2 KIF11 1280/4885HDAC2 291/4885MAP4K4 314/4885
US-20060178413-A1 Diphenylurea derivatives and their use as chloride channel blockers CLIC1, CLIC4, CLCN2 KIF11 3676/4885HDAC2 3100/4885MAP4K4 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.