SCHEMBL900719

SCHEMBL900719

Cc1nc2c(C(F)(F)F)cccc2n1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.58
NR1H3 Q13133 11/20 0.58
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MDM2 Q00987 1/20 0.44
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42

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
SCHEMBL1272108 0.87 NR1H2 (0.52) NR1H2NR1H3MAPK1HTTCNR1
SCHEMBL12900966 0.87 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL1272181 0.84 NR1H2 (0.56) NR1H2NR1H3MAPK1
SCHEMBL1270997 0.84 NR1H2 (0.58) NR1H2NR1H3CNR1CNR2MDM2
SCHEMBL1271040 0.83 NR1H2 (0.67) NR1H2NR1H3
SCHEMBL17847307 0.83 NR1H2 (0.45) NR1H2NR1H3MAPK1HTTCNR1
SCHEMBL1272716 0.81 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL541176 0.80 MAPK1 (0.61) NR1H2NR1H3MAPK1HTTALDH1A1
SCHEMBL15228164 0.80 MAPK1 (0.49) NR1H2NR1H3MAPK1HTTALDH1A1
SCHEMBL12934443 0.78 NR1H2 (0.70) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 NR1H2 1281/4885NR1H3 969/4885MAPK1 4011/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 NR1H2 668/4885NR1H3 567/4885MAPK1 3365/4885

“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.