SCHEMBL10248277

SCHEMBL10248277

O=C(NC1CCN(Cc2ncc[nH]2)CC1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 4/20 0.54
▸ PRKAB2 O43741 3/20 0.54
▸ PRKAG1 P54619 3/20 0.54
▸ PRKAA1 Q13131 3/20 0.54
▸ PRKAG3 Q9UGI9 3/20 0.54
▸ PRKAG2 Q9UGJ0 3/20 0.54
▸ PRKAB1 Q9Y478 3/20 0.54
▸ HPGDS O60760 1/20 0.50
▸ CXCR4 P61073 1/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ ACHE P22303 2/20 0.47
▸ BCHE P06276 1/20 0.47
▸ TMEM97 Q5BJF2 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ SLC6A12 P48065 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL1366534 0.84 PRKAA2 (0.75) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1367196 0.82 DRD4 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2070799 0.81 HPGDS (0.70) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10251883 0.80 CXCR4 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1366727 0.78 CARM1 (0.58) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1366200 0.78 HPGDS (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1367082 0.78 HPGDS (0.78) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL14094612 0.78 CKS1B (0.54) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1366963 0.77 SLC6A12 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4636340 0.77 GABRA5 (0.55) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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 PRKAA2 4366/4885PRKAB2 3857/4885PRKAG1 3043/4885

“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.

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