SCHEMBL174748

SCHEMBL174748

O=C1NCCN=C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.48
PTGIR P43119 1/20 0.46
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
LMNA P02545 3/20 0.42
KDM4E B2RXH2 1/20 0.41
NOTUM Q6P988 1/20 0.41
GAA P10253 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
MAPT P10636 3/20 0.40
XDH P47989 1/20 0.40
APP P05067 1/20 0.39
HPGD P15428 1/20 0.39
PDE4D Q08499 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL771657 0.79 NISCH (0.56) GFERLMNAHTR1DMAPT
SCHEMBL4025501 0.77 LMNA (0.46) LMNARAB9A
SCHEMBL15344530 0.77 LMNA (0.46) LMNAHTR1D
SCHEMBL10373648 0.73 NISCH (0.61) PTGIRADRA2AADRA2BADRA2CLMNA
SCHEMBL11460474 0.71 LMNA (0.65) ADRA2AADRA2BADRA2CLMNAKDM4E
SCHEMBL9827708 0.70 NISCH (0.58) GFERLMNAGAAMAPT
Hydrochloric Acid SCHEMBL11754735 0.70 TOP2A (0.64) GFERPTGIRADRA2AADRA2BADRA2C
SCHEMBL174327 0.70 SIRT6 (0.42) LMNAKDM4EMAPTHPGDRAB9A
SCHEMBL6738475 0.69 NOTUM (0.44) LMNANOTUMGAAMAPTXDH
SCHEMBL6977059 0.69 PTGIR (0.84) PTGIRADRA2AADRA2BADRA2CHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188267-B1 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER GILEAD CONNECTICUT INC (US) 2016-08-03 EP disclosed
EP-2188267-B1 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER GILEAD CONNECTICUT INC (US) 2016-08-03 EP disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
US-9249123-B2 Pyridinones/pyrazinones, method of making, and method of use thereof GENENTECH, INC. (US) 2016-02-02 US disclosed
EP-2611790-B1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2015-11-04 EP disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GENENTECH, INC. (US) 2013-10-24 US disclosed
EP-2611790-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut, Inc. (US) 2013-07-10 EP disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 US disclosed
US-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof GILEAD CONNECTICUT, INC. 2011-03-10 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-7884108-B2 tyrosine kinase inhibitors such as N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenyl amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-fluorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxamide for treating bone disorders, allergic disorders, autoimmune diseases, inflammatory diseases CGI PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
WO-2009039397-A2 SUBSTITUTED AMIDES, METHODS OF MAKING, USE THEREOF FOR THE TREATMENT OF DISEASES SUCH AS CANCER CGI PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 US disclosed
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2009-03-26 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 (3 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-20110059944-A1 Certain Substituted Amides, Method of Making, and Method of Use Thereof BTK, SYK, MYD88 GFER 2526/4885PTGIR 1024/4885ADRA2A 2688/4885
US-20130281432-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, PDXK, TYK2 GFER 3788/4885PTGIR 633/4885ADRA2A 3387/4885
US-20090082330-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 GFER 2526/4885PTGIR 1024/4885ADRA2A 2688/4885

“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.