SCHEMBL10248313

SCHEMBL10248313

O=C(NCCN1CCNC1=O)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
HPGDS O60760 4/20 0.58
GABRA5 P31644 1/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
CREBBP Q92793 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
ENPP2 Q13822 1/20 0.49
POLR1A O95602 1/20 0.46
HPGD P15428 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
IRAK1 P51617 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
PLAT P00750 1/20 0.42
KDM5B Q9UGL1 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL16495442 0.88 GABRA5 (0.60) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL1402380 0.85 RAB9A (0.76) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL15899819 0.84 HPGDS (0.50) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL16495708 0.78 RAB9A (0.53) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL31288020 0.78 RAB9A (0.64) RAB9AKMT2AHPGDSKDM4EALDH1A1
SCHEMBL18758193 0.77 KMT2A (0.67) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL14817956 0.75 KMT2A (0.76) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL13211934 0.75 KMT2A (1.00) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL11973926 0.75 RAB9A (0.76) RAB9AKMT2AHPGDSGABRA5KDM4E
SCHEMBL16496023 0.73 HPGDS (0.53) RAB9AKMT2AHPGDSGABRA5ALDH1A1

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
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-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 RAB9A 2462/4885KMT2A 3407/4885HPGDS 16/4885

“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.