SCHEMBL4636074

SCHEMBL4636074

O=C(NCc1cccc(S(=O)(=O)NCCCCO)c1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.69
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
SGMS1 Q86VZ5 1/20 0.42
POLB P06746 1/20 0.41
PRKACA P17612 1/20 0.41
GRK5 P34947 1/20 0.41
PRKX P51817 1/20 0.41
PRKCQ Q04759 1/20 0.41
ROCK1 Q13464 1/20 0.41
CCR1 P32246 1/20 0.41
ROCK2 O75116 3/20 0.41
CXCR4 P61073 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTAFR P25105 1/20 0.40
NAMPT P43490 1/20 0.39

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
SCHEMBL4636055 0.97 HPGDS (0.70) HPGDSHTTRAB9ALMNASGMS1
SCHEMBL4636668 0.90 HPGDS (0.66) HPGDSHTTRAB9ALMNASGMS1
SCHEMBL4636304 0.89 HPGDS (0.67) HPGDSHTTRAB9ALMNASGMS1
SCHEMBL4636434 0.89 HPGDS (0.64) HPGDSHTTRAB9ALMNASGMS1
SCHEMBL4636428 0.89 HPGDS (0.66) HPGDSHTTRAB9ALMNASGMS1
SCHEMBL4636381 0.87 HPGDS (0.69) HPGDSHTTRAB9ALMNASGMS1
SCHEMBL4636491 0.87 HPGDS (0.74) HPGDSHTTRAB9ALMNAPOLB
SCHEMBL4636454 0.86 HPGDS (0.68) HPGDSHTTRAB9ALMNASGMS1
SCHEMBL5014335 0.86 HPGDS (0.61) HPGDSHTTLMNACCR1
SCHEMBL4636315 0.85 HPGDS (0.66) HPGDSHTTRAB9ALMNASGMS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP claimed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO claimed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 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 (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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S HPGDS 16/4885HTT 4390/4885RAB9A 2462/4885

“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.