SCHEMBL5695246

SCHEMBL5695246

Fc1cc(F)c2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 13/20 0.46
LCK P06239 6/20 0.46
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
ZAP70 P43403 1/20 0.46
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
Hydrochloric Acid SCHEMBL6489043 0.99 PTGES (0.46) PTGESLCKEGFRSRCZAP70
SCHEMBL5695236 0.84 LCK (0.51) PTGESLCKEGFRSRCZAP70
Hydrochloric Acid SCHEMBL6497662 0.83 LCK (0.50) PTGESLCKEGFRSRCZAP70
SCHEMBL5695281 0.79 JAK2 (0.46) PTGESLCKEGFRSRCZAP70
SCHEMBL5695257 0.79 LCK (0.54) PTGESLCKEGFRSRCZAP70
Hydrochloric Acid SCHEMBL6492502 0.78 LCK (0.53) PTGESLCKEGFRSRCZAP70
Hydrochloric Acid SCHEMBL6491671 0.78 JAK2 (0.46) PTGESLCKEGFRSRCZAP70
SCHEMBL5695250 0.78 ADRA2A (0.41) PTGESLCKEGFRSRCZAP70
SCHEMBL5695251 0.77 HDAC11 (0.52) PTGESLCKEGFRSRCZAP70
Hydrochloric Acid SCHEMBL6489052 0.77 ADRA2A (0.40) PTGESLCKEGFRSRCZAP70

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
EP-1341770-B1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-14 EP claimed
US-6686384-B2 2-ANILINOPHENYL-SUBSTITUTED; INHIBITION OF THE NA+/H+ EXCHANGER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US claimed
US-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-10-09 US claimed
EP-1341770-A1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-09-10 EP claimed
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-19 US claimed
WO-2002046169-A1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 WO claimed
EP-1341770-B1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-14 EP disclosed
US-6958357-B2 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-10-25 US disclosed
US-6686384-B2 2-ANILINOPHENYL-SUBSTITUTED; INHIBITION OF THE NA+/H+ EXCHANGER AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-03 US disclosed
US-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-10-09 US disclosed
EP-1341770-A1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2003-09-10 EP disclosed
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-09-19 US disclosed
WO-2002046169-A1 SUBSTITUTED 2-ANILINO-BENZIMIDAZOLES AND THE USE THEREOF AS NHE-INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-06-13 WO 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 (2 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-20030191170-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 PTGES 2271/4885LCK 4175/4885EGFR 3615/4885
US-20020132842-A1 Substituted benzimidazoles, processes for their preparation, their use as medicaments, and medicaments comprising them ABCB11, ATP1A2, ATP1A1 PTGES 2271/4885LCK 4175/4885EGFR 3615/4885

“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.