SCHEMBL4637448

SCHEMBL4637448

CNS(=O)(=O)c1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.70
CA2 P00918 2/20 0.53
CA1 P00915 1/20 0.53
RORC P51449 1/20 0.53
ADAMTS4 O75173 1/20 0.51
NAMPT P43490 4/20 0.50
SCN3A Q9NY46 1/20 0.48
CXCR4 P61073 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL16496440 0.87 HPGDS (0.72) HPGDSCA2CA1RORCADAMTS4
SCHEMBL4727965 0.87 HPGDS (0.65) HPGDSNAMPTALDH1A1POLB
SCHEMBL4636418 0.85 HPGDS (0.73) HPGDSCA2CA1KDM4EPOLB
SCHEMBL4636186 0.85 ALDH1A1 (0.70) HPGDSCA2CA1NAMPTALDH1A1
SCHEMBL5681681 0.85 HDAC1 (0.64) CA2CA1RORCADAMTS4CXCR4
SCHEMBL4636511 0.83 HPGDS (1.00) HPGDSL3MBTL1
SCHEMBL4726359 0.81 HPGDS (0.70) HPGDSCA2CA1ALDH1A1L3MBTL1
SCHEMBL4776301 0.79 HPGDS (0.79) HPGDSCA2CA1L3MBTL1
SCHEMBL16495484 0.79 HPGDS (0.56) HPGDSCA2CA1RORCNAMPT
SCHEMBL4636447 0.78 HPGDS (0.64) HPGDSCXCR4ALDH1A1

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 15 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-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
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
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 16/4885CA2 3361/4885CA1 4455/4885

“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.