SCHEMBL10248035

SCHEMBL10248035

O=C(NCC1CCOCC1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
ATR Q13535 1/20 0.54
GABRA5 P31644 3/20 0.51
NAMPT P43490 4/20 0.50
BRD4 O60885 1/20 0.49
MAPK1 P28482 1/20 0.49
CKS1B P61024 1/20 0.49
SKP1 P63208 1/20 0.49
SKP2 Q13309 1/20 0.49
HIF1A Q16665 1/20 0.49
EGLN1 Q9GZT9 4/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL15389532 0.83 NAMPT (0.62) ATRNAMPTBRD4HDAC3HDAC4
SCHEMBL15899959 0.83 ALDH1A1 (0.46) ATRGABRA5BRD4CKS1BSKP1
SCHEMBL16054068 0.78 MAPK1 (0.55) ATRNAMPTMAPK1EGLN1HDAC1
SCHEMBL4648466 0.78 EGLN1 (0.52) NAMPTMAPK1EGLN1
SCHEMBL6928096 0.78 GABRA5 (0.61) GABRA5BRD4
SCHEMBL16054654 0.78 NAMPT (0.60) ATRGABRA5NAMPTBRD4MAPK1
SCHEMBL16055464 0.77 NAMPT (0.48) ATRGABRA5NAMPTBRD4MAPK1
SCHEMBL5077141 0.76 THRB (0.56) NAMPTEGLN1HDAC1HDAC6
SCHEMBL16109208 0.76 NAMPT (0.56) ATRGABRA5NAMPTMAPK1EGLN1
SCHEMBL16088421 0.76 NAMPT (0.58) ATRGABRA5NAMPTBRD4EGLN1

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 16/4885ATR 2558/4885GABRA5 4233/4885

“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.