SCHEMBL5672155

SCHEMBL5672155

Cc1cc(CCO)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 11/20 0.36
NOS1 P29475 9/20 0.36
NOS3 P29474 6/20 0.35

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
SCHEMBL8217968 0.91 MYC (0.32) NOS2NOS1NOS3
SCHEMBL6164525 0.89 NOS2 (0.39) NOS2NOS1NOS3
SCHEMBL6167004 0.88 NOS2 (0.38) NOS2NOS1NOS3
SCHEMBL13040655 0.88 NOS2 (0.38) NOS2NOS1NOS3
SCHEMBL5673102 0.86 NOTUM (0.33) NOS2NOS1NOS3
SCHEMBL6767011 0.85 ALDH1A1 (0.39)
SCHEMBL8328137 0.85 NOS2 (0.51) NOS2NOS1NOS3
SCHEMBL13040665 0.83 NOS2 (0.42) NOS2NOS1NOS3
SCHEMBL2834751 0.83 NOS1 (0.44) NOS2NOS1NOS3
SCHEMBL8329772 0.83 NOS2 (0.39) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060194847-A1 Novel 6-substituted 2-aminopyridine derivatives ASTRAZENECA AB (SE) 2006-08-31 US disclosed
EP-1611099-A1 NOVEL 6-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004087665-A1 NOVEL 6-SUBSTITUTED 2-AMINOPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
US-6762176-B1 INHIBITING NO-SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE AND/OR TRAPPING REACTIVE FORMS OF OXYGEN; INHIBIT LIPIDIC PEROXIDATION SOCIETE DE CONSELLS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-13 US disclosed
US-6727239-B1 INHIBITORY ACTIVITY ON NO- SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE NO AND/OR AN ACTIVITY WHICH TRAPS THE REACTIVE OXYGEN SPECIES (ROS) SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-27 US disclosed
EP-1095020-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-02 EP disclosed
WO-2000002860-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-01-20 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 (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-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
US-20060194847-A1 Novel 6-substituted 2-aminopyridine derivatives NOS1, NOS2, NOS3 NOS2 2/4885NOS1 1/4885NOS3 3/4885

“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.