SCHEMBL10247918

SCHEMBL10247918

CN(C)c1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.67
NAMPT P43490 1/20 0.48
PRKACA P17612 1/20 0.47
GRK5 P34947 1/20 0.47
PRKX P51817 1/20 0.47
PRKCQ Q04759 1/20 0.47
ROCK1 Q13464 1/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
POLB P06746 1/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 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
SCHEMBL15899850 0.84 HPGDS (0.46) HPGDSALDH1A1KLKB1KLK1HDAC1
SCHEMBL4636511 0.81 HPGDS (1.00) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4636186 0.79 ALDH1A1 (0.70) HPGDSNAMPTALDH1A1POLBNPC1
SCHEMBL4735454 0.79 L3MBTL1 (0.55) NAMPTALDH1A1L3MBTL1EPHX2KLKB1
SCHEMBL4776301 0.77 HPGDS (0.79) HPGDSL3MBTL1EPHX2NR1H4HDAC3
SCHEMBL4739795 0.76 HDAC3 (0.51) HPGDSNAMPTKLKB1KLK1HDAC3
SCHEMBL12880102 0.76 KMT2A (0.47) NAMPTALDH1A1KLKB1KLK1POLB
SCHEMBL4726359 0.75 HPGDS (0.70) HPGDSALDH1A1L3MBTL1EPHX2NR1H4
SCHEMBL4727807 0.75 SMN1; SMN2 (0.74) HPGDSPRKACAGRK5PRKXPRKCQ
SCHEMBL4637448 0.75 HPGDS (0.70) HPGDSNAMPTALDH1A1L3MBTL1POLB

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 5 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 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
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 16/4885NAMPT 162/4885PRKACA 4732/4885

“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.