SCHEMBL3560184

SCHEMBL3560184

Cc1cc(C2CCCN2C(CC2=COCO2)C(=O)NCc2ccccc2)nc(-n2ccnc2)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 18/20 0.53
NOS1 P29475 4/20 0.53
ADAM17 P78536 1/20 0.39

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
SCHEMBL5340893 0.77 NOS2 (0.48) NOS2NOS1
SCHEMBL3569388 0.73 NOS2 (0.60) NOS2NOS1
SCHEMBL5340900 0.73 NOS2 (0.65) NOS2NOS1
Hydrochloric Acid SCHEMBL3571851 0.73 NOS2 (0.60) NOS2NOS1
SCHEMBL3562923 0.71 NOS2 (0.58) NOS2NOS1
SCHEMBL3561935 0.71 NOS2 (0.51) NOS2NOS1
SCHEMBL3556108 0.69 NOS1 (0.55) NOS2NOS1
SCHEMBL3560178 0.69 NOS2 (1.00) NOS2NOS1
SCHEMBL3561754 0.69 NOS2 (0.53) NOS2NOS1
SCHEMBL4884982 0.69 NOS2 (0.61) 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 3 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-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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors KALYPSYS, INC. 2006-06-01 US 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 (2 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-20060116515-A1 Inducible nitric oxide synthase dimerization inhibitors NOS3, NOS2, NOS1 NOS2 2/4885NOS1 3/4885ADAM17 2783/4885
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 2/4885ADAM17 4408/4885

“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.