SCHEMBL2773550

SCHEMBL2773550

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.32
NOS2 P35228 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NOS3 P29474 2/20 0.32
CCR1 P32246 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NOS1 P29475 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MPI P34949 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL8326929 0.84 NOS2 (0.48) NOS2KDM4ENOS3ALDH1A1NOS1
SCHEMBL5930653 0.82 SMN1; SMN2 (0.36) NOS2KDM4ENOS3ALDH1A1NOS1
SCHEMBL5673102 0.82 NOTUM (0.33) MYCNOS2KDM4ENOS3CCR1
SCHEMBL8328137 0.81 NOS2 (0.51) NOS2KDM4ENOS3ALDH1A1NOS1
SCHEMBL2776731 0.81 KDM4E (0.33) NOS2KDM4ENOS3ALDH1A1NOS1
SCHEMBL13040603 0.80 NOS2 (0.39) NOS2NOS3NOS1
SCHEMBL16018333 0.80 NOS3 (0.36) MYCNOS2NOS3NOS1
SCHEMBL2834751 0.79 NOS1 (0.44) NOS2NOS3NOS1
SCHEMBL8329772 0.79 NOS2 (0.39) NOS2NOS3NOS1
SCHEMBL5672155 0.79 NOS2 (0.36) NOS2NOS3NOS1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2019-01-01 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-10-19 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
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 US disclosed
US-9732037-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-08-15 US disclosed
US-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-12-01 US disclosed
US-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-12-01 US disclosed
US-8829187-B1 Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2014-09-09 US disclosed
US-8829187-B1 Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2014-09-09 US disclosed
US-8389731-B2 Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2013-03-05 US disclosed
US-8389731-B2 Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2013-03-05 US disclosed
US-8389731-B2 Chiral pyrrolidine core compounds en route to inhibitors of nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2013-03-05 US disclosed
US-20100292484-A1 Chiral Pyrrolidine Core Compounds en route to Inhibitors of Nitric Oxide Synthase NORTHESTERN UNIVERSITY 2010-11-18 US disclosed
US-20100292484-A1 Chiral Pyrrolidine Core Compounds en route to Inhibitors of Nitric Oxide Synthase NORTHESTERN UNIVERSITY 2010-11-18 US disclosed
US-20100292484-A1 Chiral Pyrrolidine Core Compounds en route to Inhibitors of Nitric Oxide Synthase NORTHESTERN UNIVERSITY 2010-11-18 US disclosed
WO-2010132873-A2 CHIRAL PYRROLIDINE CORE COMPOUNDS EN ROUTE TO INHIBITORS OF NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2010-11-18 WO disclosed
WO-2010132873-A2 CHIRAL PYRROLIDINE CORE COMPOUNDS EN ROUTE TO INHIBITORS OF NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2010-11-18 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 (5 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-20160347713-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 MYC 4442/4885NOS2 1/4885KDM4E 1514/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 MYC 2236/4885NOS2 2/4885KDM4E 3861/4885
US-10167260-B2 2-aminopyridine-based selective neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 MYC 4442/4885NOS2 1/4885KDM4E 1514/4885
US-20100292484-A1 Chiral Pyrrolidine Core Compounds en route to Inhibitors of Nitric Oxide Synthase NOS1, NOS2, NOS3 MYC 3079/4885NOS2 2/4885KDM4E 2137/4885
US-20170298021-A1 2-Aminopyridine-based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 MYC 4442/4885NOS2 1/4885KDM4E 1514/4885

“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.