SCHEMBL5672182

SCHEMBL5672182

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MYC P01106 3/20 0.38
NR4A1 P22736 1/20 0.35
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
MPI P34949 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2777522 0.79 NOS3 (0.41) KDM4EMYCALDH1A1L3MBTL1GAA
SCHEMBL18586369 0.77 KDM4E (0.47) KDM4EMYCNR4A1ALDH1A1L3MBTL1
SCHEMBL29232582 0.76 KDM4E (0.33) KDM4EMYCNR4A1ALDH1A1L3MBTL1
SCHEMBL2773550 0.76 MYC (0.32) KDM4EMYCALDH1A1L3MBTL1GAA
SCHEMBL5777870 0.73 GRIN2D (0.41) KDM4EMYCNR4A1ALDH1A1L3MBTL1
SCHEMBL17708596 0.73 NOS1 (0.47)
SCHEMBL8326929 0.73 NOS2 (0.48) KDM4EALDH1A1L3MBTL1GAAHPGD
SCHEMBL8331278 0.73 NOS3 (0.48) KDM4EALDH1A1L3MBTL1GAAHPGD
SCHEMBL1821173 0.72
SCHEMBL5930607 0.72 ALDH1A1 (0.40) KDM4EMYCNR4A1ALDH1A1L3MBTL1

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 16 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
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US disclosed
EP-3215497-A2 MAMMALIAN AND BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS Northwestern University (US) 2017-09-13 EP disclosed
WO-2016073623-A2 MAMMALIAN AND BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2016-05-12 WO 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-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-05-05 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

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-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 KDM4E 3861/4885MYC 2236/4885NR4A1 3304/4885
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 KDM4E 2967/4885MYC 2576/4885NR4A1 3804/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 KDM4E 3861/4885MYC 2236/4885NR4A1 3304/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 KDM4E 3861/4885MYC 2236/4885NR4A1 3304/4885
US-20060194847-A1 Novel 6-substituted 2-aminopyridine derivatives NOS1, NOS2, NOS3 KDM4E 1914/4885MYC 4713/4885NR4A1 1164/4885

“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.