SCHEMBL1842124

SCHEMBL1842124

Cc1ccc(-c2nc3cc(C(N)=NO)ccc3[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 9/20 0.61
CSNK1D P48730 1/20 0.49
CSNK1E P49674 1/20 0.49
MAPK14 Q16539 1/20 0.49
NPBWR1 P48145 2/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
F11 P03951 1/20 0.45

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
SCHEMBL10029168 1.00 CHEK2 (0.61) CHEK2CSNK1DCSNK1EMAPK14NPBWR1
SCHEMBL17393280 0.92 CHEK2 (0.57) CHEK2CSNK1DCSNK1EMAPK14NPC1
SCHEMBL17393277 0.92 CHEK2 (0.57) CHEK2CSNK1DCSNK1EMAPK14NPC1
SCHEMBL10029167 0.87 CHEK2 (0.60) CHEK2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1841112 0.87 CHEK2 (0.60) CHEK2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7976836 0.83 F10 (0.54) CHEK2CSNK1DCSNK1EMAPK14MAPK1
SCHEMBL28028783 0.82 CHEK2 (0.60) CHEK2MEN1KMT2A
SCHEMBL17393379 0.82 CHEK2 (0.56) CHEK2MEN1NPC1ALDH1A1MAPT
SCHEMBL17393611 0.82 CHEK2 (0.56) CHEK2MEN1NPC1ALDH1A1MAPT
SCHEMBL17393422 0.81 CHEK2 (0.57) CHEK2MEN1NPC1ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168665-B2 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-01 US claimed
EP-2079709-B1 SUBSTITUTED 2-PHENYL-BENZIMIDAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2011-05-18 EP claimed
US-20090239915-A1 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2009-09-24 US claimed
EP-2079709-A1 SUBSTITUTED 2-PHENYL-BENZIMIDAZOLES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-07-22 EP claimed
WO-2008037381-A1 SUBSTITUTED 2-PHENYL-BENZIMIDAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-04-03 WO claimed
EP-1905764-A1 Substituted 2-Phenyl-benzimidazoles and their use as pharmaceuticals Sanofi-Aventis (FR) 2008-04-02 EP claimed
US-8168665-B2 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-01 US disclosed
EP-2079709-B1 SUBSTITUTED 2-PHENYL-BENZIMIDAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2011-05-18 EP disclosed
US-20090239915-A1 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2009-09-24 US disclosed
EP-2079709-A1 SUBSTITUTED 2-PHENYL-BENZIMIDAZOLES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-07-22 EP disclosed
WO-2008037381-A1 SUBSTITUTED 2-PHENYL-BENZIMIDAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-04-03 WO disclosed
EP-1905764-A1 Substituted 2-Phenyl-benzimidazoles and their use as pharmaceuticals Sanofi-Aventis (FR) 2008-04-02 EP 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-20090239915-A1 Substituted 2-phenyl-benzimidazoles and their use as pharmaceuticals NOS2, NOS3, NOS1 CHEK2 4134/4885CSNK1D 774/4885CSNK1E 959/4885

“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.