SCHEMBL4886393

SCHEMBL4886393

Cc1cc(C2CCCN2C(=O)CN(Cc2ccc3c(c2)OCO3)C(=O)OC(C)(C)C)nc(-n2ccnc2)n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 20/20 0.68
NOS1 P29475 5/20 0.68

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
SCHEMBL4897144 0.91 NOS2 (0.73) NOS2NOS1
SCHEMBL3568767 0.88 NOS2 (0.74) NOS2NOS1
SCHEMBL14034519 0.87 NOS2 (0.74) NOS2NOS1
SCHEMBL3562711 0.86 NOS2 (0.71) NOS2NOS1
SCHEMBL4888876 0.83 NOS2 (0.72) NOS2NOS1
SCHEMBL3565871 0.83 NOS2 (0.57) NOS2NOS1
SCHEMBL4888882 0.81 NOS2 (1.00) NOS2NOS1
SCHEMBL3566884 0.80 NOS2 (0.68) NOS2NOS1
SCHEMBL3564686 0.79 NOS2 (0.52) NOS2NOS1
SCHEMBL3567452 0.79 NOS2 (0.55) NOS2NOS1

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-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-7825256-B2 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. (US) 2010-11-02 US disclosed
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives COUSINS RUSSELL D 2008-11-27 US disclosed
US-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives COUSINS RUSSELL D 2008-11-27 US disclosed
WO-2007062417-A1 METHODS OF PREPARING 2-IMIDAZOL-1-YL-4-METHYL-6-PYRROLIDIN-2-YL-PYRIMIDINE AND 4-(1-ALKYLPYRROLIDIN-2-YL)-2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDINE DERIVATIVES KALYPSYS, INC. (US) 2007-05-31 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-20080293942-A1 Methods of Preparing 2-Imidazol-1-Yl-4-Methyl-6-Pyrrolidin-2-Yl-Pyrimidine and 4-(1-Alkylpyrrolidin-2-Yl)-2-(1H-Imidazol-1-Yl)-6-Methylpyrimidine Derivatives NOS2, NOS1, NOS3 NOS2 1/4885NOS1 2/4885

“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.