SCHEMBL7052362

SCHEMBL7052362

Cc1cc(N)nc(CC(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 1.00
NOS1 P29475 8/20 1.00
NOS3 P29474 7/20 1.00

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
SCHEMBL160399 0.85 NOS2 (0.73) NOS2NOS1NOS3
SCHEMBL30967285 0.85 NOS2 (1.00) NOS2NOS1NOS3
SCHEMBL13040572 0.85 NOS2 (1.00) NOS2NOS1NOS3
SCHEMBL13040574 0.85 NOS2 (1.00) NOS2NOS1NOS3
SCHEMBL13040600 0.82 NOS2 (0.69) NOS2NOS1NOS3
SCHEMBL7051205 0.81 NOS2 (1.00) NOS2NOS1NOS3
SCHEMBL12250722 0.79 NOS2 (0.66) NOS2NOS1NOS3
SCHEMBL9282575 0.79 NOS2 (0.65) NOS2NOS1NOS3
SCHEMBL13040654 0.79 NOS2 (1.00) NOS2NOS1NOS3
SCHEMBL12250784 0.78 NOS2 (0.63) NOS2NOS1NOS3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US claimed
US-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-11-04 US disclosed
US-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-11-04 US disclosed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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-20100278751-A1 RADIOLABELED 2-AMINO-4-ALKYL-6-(HALOALKYL)PYRIDINE COMPOUNDS AND THEIR USE IN DIAGNOSTIC IMAGING NOS2, NOS3, NOS1 NOS2 1/4885NOS1 3/4885NOS3 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.