SCHEMBL4636078

SCHEMBL4636078

O=C(NCc1cccc(S(=O)(=O)NCC2CCOCC2)c1)c1cnc(-c2cccc(F)c2)nc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.62
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.43
ROCK2 O75116 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 2/20 0.41
POLB P06746 1/20 0.41
CXCR4 P61073 1/20 0.40
NAMPT P43490 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
SCHEMBL5022649 0.87 HPGDS (0.60) HPGDSALDH1A1HTTROCK2MEN1
SCHEMBL4668014 0.84 HPGDS (0.60) HPGDSMAPK1ALDH1A1ROCK2LMNA
SCHEMBL4669182 0.83 HPGDS (0.69) HPGDSMAPK1ALDH1A1HTTROCK2
SCHEMBL4636491 0.83 HPGDS (0.74) HPGDSALDH1A1HTTROCK2LMNA
SCHEMBL4636927 0.81 HPGDS (0.76) HPGDSALDH1A1HTTROCK2LMNA
SCHEMBL4636174 0.81 HPGDS (0.66) HPGDSMAPK1ALDH1A1PKMHTT
SCHEMBL4636380 0.81 MAPK1 (0.61) HPGDSMAPK1ALDH1A1HTTMEN1
SCHEMBL5015328 0.81 HPGDS (0.59) HPGDSALDH1A1PKMROCK2MEN1
SCHEMBL4636739 0.81 HPGDS (0.70) HPGDSALDH1A1HTTROCK2LMNA
SCHEMBL4636055 0.81 HPGDS (0.70) HPGDSALDH1A1HTTROCK2LMNA

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 8 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
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
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 16/4885MAPK1 1479/4885ALDH1A1 871/4885

“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.