SCHEMBL7737413

SCHEMBL7737413

Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 11/20 1.00
NOS2 P35228 5/20 1.00
NOS3 P29474 6/20 0.76

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
SCHEMBL22566634 0.94 NOS1 (0.88) NOS1NOS2NOS3
SCHEMBL2836088 0.91 NOS1 (0.83) NOS1NOS2NOS3
SCHEMBL17708655 0.90 NOS1 (0.85) NOS1NOS2NOS3
SCHEMBL17708610 0.89 NOS1 (0.78) NOS1NOS2NOS3
SCHEMBL17708584 0.87 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL17708606 0.87 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL19379229 0.87 NOS1 (1.00) NOS1NOS2NOS3
SCHEMBL17708668 0.86 NOS1 (0.74) NOS1NOS2NOS3
SCHEMBL7737467 0.84 NOS2 (0.73) NOS1NOS2NOS3
SCHEMBL7730401 0.84 NOS1 (0.77) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2020-10-22 US disclosed
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2020-09-01 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US disclosed
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US disclosed
WO-2016073623-A2 MAMMALIAN AND BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2016-05-12 WO disclosed
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-05-05 US disclosed
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-05-05 US disclosed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885NOS3 3/4885
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-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885NOS3 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
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885NOS3 3/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 NOS1 1/4885NOS2 2/4885NOS3 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.