SCHEMBL4636652

SCHEMBL4636652

CNS(=O)(=O)c1cncc(CN)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL12524821 0.84 SMN1; SMN2 (0.41) TNNI3KPIK3CDPIK3CGSMN1; SMN2GAA
SCHEMBL4637538 0.82 PIK3CD (0.44) PIK3CDPIK3CGSMN1; SMN2GAAPTGS2
SCHEMBL3129453 0.80 PRMT5 (0.43) PIK3CDPIK3CGCA9CA12CA1
SCHEMBL3121628 0.79 PSIP1 (0.53) SMN1; SMN2GAAMAPTCA9CA12
SCHEMBL9978250 0.78 APLNR (0.55) PIK3CDPIK3CGSMN1; SMN2MAPTCA9
SCHEMBL3132047 0.77 ALDH1A1 (0.39) TNNI3KPIK3CDPIK3CGSMN1; SMN2GAA
SCHEMBL2286846 0.77 TNNI3K (0.47) TNNI3KPIK3CDPIK3CGSMN1; SMN2GAA
SCHEMBL12524326 0.74 SMN1; SMN2 (0.50) TNNI3KPIK3CDPIK3CGSMN1; SMN2GAA
SCHEMBL1014348 0.74 HTR6 (0.55) TNNI3KSMN1; SMN2GAALMNABRAF
SCHEMBL1771843 0.73 S100A9 (0.49) TNNI3KPIK3CDPIK3CGSMN1; SMN2GAA

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 TNNI3K 1346/4885PIK3CD 1489/4885PIK3CG 2290/4885

“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.