SCHEMBL7737460

SCHEMBL7737460

Cc1cc(CCc2ccccc2)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.49
NOS2 P35228 5/20 0.49
NOS3 P29474 3/20 0.49
BACE1 P56817 2/20 0.43
KCNH2 Q12809 1/20 0.43
TDP2 O95551 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 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
SCHEMBL2834751 0.92 NOS1 (0.44) NOS1NOS2NOS3
SCHEMBL8330574 0.91 NOS1 (0.61) NOS1NOS2NOS3BACE1
SCHEMBL8330686 0.91 NOS1 (0.57) NOS1NOS2NOS3BACE1
SCHEMBL2836244 0.91 NOS1 (0.59) NOS1NOS2NOS3
SCHEMBL17721483 0.88 NOS1 (0.52) NOS1NOS2NOS3
SCHEMBL7737309 0.86 BACE1 (0.48) NOS1NOS2NOS3BACE1
SCHEMBL2836816 0.85 NOS1 (0.44) NOS1NOS2NOS3BACE1
SCHEMBL17708566 0.85 NOS1 (0.49) NOS1NOS2NOS3
SCHEMBL19379329 0.85 NOS2 (0.45) NOS1NOS2NOS3BACE1
SCHEMBL19379168 0.85 BACE1 (0.49) NOS1NOS2NOS3BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8932842-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2015-01-13 US disclosed
US-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2013-02-14 US disclosed
US-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2013-02-14 US disclosed
US-8278084-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2012-10-02 US disclosed
US-8278084-B2 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2012-10-02 US disclosed
WO-2010093787-A2 AMINOPYRIDINE DIMER COMPOUNDS, COMPOSITIONS AND RELATED METHODS FOR NEURONAL NITRIC OXIDE SYNTHASE INHIBITION NORTHWESTERN UNIVERSITY (US) 2010-08-19 WO disclosed
US-20100203613-A1 Aminopyridine Dimer Compounds, Compositions and Related Methods for Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-12 US disclosed
US-20100203613-A1 Aminopyridine Dimer Compounds, Compositions and Related Methods for Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-12 US 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-20130040359-A1 Aminopyridine dimer compounds, compositions and related methods for neuronal nitric oxide synthase inhibition NOS2, NOS1, NOS3 NOS1 2/4885NOS2 1/4885NOS3 3/4885
US-20100203613-A1 Aminopyridine Dimer Compounds, Compositions and Related Methods for Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS1, NOS3 NOS1 2/4885NOS2 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.