SCHEMBL4776310

SCHEMBL4776310

O=C(NCc1ccccc1)Nc1nc(-c2ccccc2)ncc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
CFD P00746 1/20 0.52
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
HPGD P15428 1/20 0.46
PDE4B Q07343 4/20 0.46
ROCK2 O75116 2/20 0.45
LMNA P02545 2/20 0.45
ROCK1 Q13464 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GSK3B P49841 1/20 0.45
THRB P10828 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
IMPDH2 P12268 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL15899934 0.82 HPGDS (0.51) HPGDSCFDROCK2ROCK1KDM4E
SCHEMBL4636421 0.78 HPGDS (0.46) HPGDSKMT2AMEN1HPGDPDE4B
SCHEMBL5078942 0.78 CFD (0.56) CFDKMT2AROCK2ROCK1ALDH1A1
SCHEMBL3255471 0.77 MEN1 (0.54) KMT2AMEN1HPGDPDE4BLMNA
SCHEMBL3256027 0.76 MEN1 (0.55) KMT2AMEN1HPGDPDE4BLMNA
SCHEMBL5914393 0.76 MEN1 (0.55) KMT2AMEN1HPGDPDE4BLMNA
SCHEMBL3050801 0.75 POLB (0.57) KMT2AMEN1CYP2C9
SCHEMBL11160675 0.75 MEN1 (0.51) KMT2AMEN1HPGDPDE4BLMNA
SCHEMBL22573822 0.74 HPGDS (0.64) HPGDSKMT2AMEN1LMNAALDH1A1
SCHEMBL8084871 0.74 HPGDS (0.64) HPGDSKMT2AMEN1HPGDLMNA

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
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP 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 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
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-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 16/4885CFD 265/4885KMT2A 3407/4885

“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.