SCHEMBL5014335

SCHEMBL5014335

O=C(NCc1cccc(S(=O)(=O)NCCCN2CCCC2)c1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CHRM3 P20309 1/20 0.42
LMNA P02545 2/20 0.42
MBTD1 Q05BQ5 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR7 P34969 2/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR6 P50406 1/20 0.41
HTT P42858 1/20 0.41
MAP4K4 O95819 1/20 0.40
SLC2A1 P11166 1/20 0.40
CCR1 P32246 1/20 0.40
ACP1 P24666 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL5015353 0.94 HPGDS (0.62) HPGDSCHRM3LMNAMAP4K4SLC2A1
SCHEMBL4636419 0.88 HPGDS (0.57) HPGDSSLC2A1
SCHEMBL4668014 0.88 HPGDS (0.60) HPGDSTDP1LMNANPSR1
SCHEMBL4636055 0.87 HPGDS (0.70) HPGDSLMNAHTTCCR1
SCHEMBL4636074 0.86 HPGDS (0.69) HPGDSLMNAHTTCCR1
SCHEMBL4636304 0.85 HPGDS (0.67) HPGDSLMNAHTTCCR1
SCHEMBL4636409 0.84 HPGDS (0.60) HPGDSCHRM3SLC2A1CCR1
SCHEMBL4636668 0.84 HPGDS (0.66) HPGDSLMNAHTTCCR1
SCHEMBL4636381 0.83 HPGDS (0.69) HPGDSLMNAHTTCCR1TP53
SCHEMBL4636434 0.83 HPGDS (0.64) HPGDSLMNAHTTCCR1

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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
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-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-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
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US 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 16/4885L3MBTL1 3101/4885TDP1 1567/4885

“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.