SCHEMBL10248027

SCHEMBL10248027

O=C(NCCc1c[nH]cn1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 2/20 0.42
GSK3B P49841 1/20 0.42
TP53 P04637 1/20 0.42
HIF1A Q16665 2/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1300262 0.87 MAPT (0.52) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL15899943 0.84 FAAH (0.44) HPGDSRAB9ANPC1TRPV1
SCHEMBL21820359 0.82 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL17481130 0.80 HDAC2 (0.49) RAB9ANPC1SMN1; SMN2MAPTCDK4
SCHEMBL18381247 0.79 KMT2A (0.60) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL28255183 0.79 TSHR (0.54) RAB9ANPC1MAPTGSK3BMEN1
SCHEMBL17195844 0.78 NAMPT (0.65) CYP3A4NAMPTMAPTMEN1KMT2A
SCHEMBL19051491 0.78 RAB9A (0.55) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL1299965 0.76 KMT2A (0.47) RAB9ANPC1SMN1; SMN2CYP3A4MAPT
SCHEMBL1300384 0.76 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53

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 HPGDS 16/4885RAB9A 2462/4885NPC1 1707/4885

“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.