SCHEMBL4636739

SCHEMBL4636739

CC(C)CNS(=O)(=O)c1cccc(CNC(=O)c2cnc(-c3cccc(F)c3)nc2)c1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.70
PRKACA P17612 1/20 0.46
GRK5 P34947 1/20 0.46
PRKX P51817 1/20 0.46
PRKCQ Q04759 1/20 0.46
ROCK1 Q13464 1/20 0.46
HTT P42858 1/20 0.45
CCR1 P32246 3/20 0.44
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
ROCK2 O75116 2/20 0.42
POLB P06746 1/20 0.42
CXCR4 P61073 1/20 0.41
RORC P51449 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
WNT3A P56704 1/20 0.41

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
SCHEMBL4636243 0.94 HPGDS (0.69) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636491 0.90 HPGDS (0.74) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4637622 0.88 HPGDS (0.66) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636927 0.88 HPGDS (0.76) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636413 0.86 HPGDS (0.75) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636381 0.86 HPGDS (0.69) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636627 0.86 HPGDS (0.74) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636454 0.85 HPGDS (0.68) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL10248301 0.85 HPGDS (0.73) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636055 0.85 HPGDS (0.70) HPGDSPRKACAGRK5PRKXPRKCQ

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 6 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
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 16/4885PRKACA 4732/4885GRK5 104/4885

“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.