SCHEMBL3224012

SCHEMBL3224012

CC(C)Nc1cccc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.54
BIRC2 Q13490 1/20 0.54
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
IDH1 O75874 3/20 0.44
HRH4 Q9H3N8 3/20 0.41
ALDH1A1 P00352 1/20 0.41
APP P05067 1/20 0.40
SCN9A Q15858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KCNH3 Q9ULD8 1/20 0.36
FDPS P14324 1/20 0.36
FDFT1 P37268 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL12541310 0.84 TDP1 (0.44) IDH1ALDH1A1APPKDM4EMAPT
SCHEMBL12290983 0.78 XIAP (0.46) XIAPBIRC2NOS3NOS2IDH1
SCHEMBL14270726 0.77 FDPS (0.58) ALDH1A1KDM4EMAPTFDPSFDFT1
SCHEMBL690670 0.76
SCHEMBL8001028 0.75 ALDH1A1 (0.51) IDH1ALDH1A1MAPT
SCHEMBL22332344 0.75 FFAR2 (0.43) IDH1TDP1KCNH3FDPSFDFT1
SCHEMBL21323398 0.75 TDP1 (0.37) IDH1ALDH1A1APPMAPTTDP1
SCHEMBL10829373 0.75 KDR (0.41) IDH1TDP1KCNH3FDPSFDFT1
SCHEMBL17658884 0.75 HSD11B1 (0.41) IDH1ALDH1A1APPTDP1KCNH3
SCHEMBL12848312 0.75 FDPS (0.40) XIAPBIRC2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-9920063-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-20 US disclosed
US-9908892-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-06 US disclosed
US-9908892-B2 Melampomagnolide B derivatives BIOVENTURES, LLC (US) 2018-03-06 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-9487536-B2 Melampomagnolide B derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-11-08 US disclosed
US-9469650-B2 Melampomagnolide B derivatives BOARD OF TRUSTEES OF THE UNIVERSITY OF ARKANSAS (US) 2016-10-18 US disclosed
US-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-07-23 US disclosed
US-20150133444-A1 MELAMPOMAGNOLIDE B DERIVATIVES BIOVENTURES, LLC 2015-05-14 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-8519135-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2013-08-27 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 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 (11 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-20150203508-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, MGMT, MMAB XIAP 4831/4885BIRC2 3484/4885NOS3 3012/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 XIAP 3896/4885BIRC2 2684/4885NOS3 4006/4885
US-20150133444-A1 MELAMPOMAGNOLIDE B DERIVATIVES CMBL, STK32B, MMAB XIAP 4846/4885BIRC2 3410/4885NOS3 2318/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 XIAP 3300/4885BIRC2 1064/4885NOS3 2273/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 XIAP 3896/4885BIRC2 2684/4885NOS3 4006/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 XIAP 3199/4885BIRC2 1966/4885NOS3 3260/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 XIAP 3896/4885BIRC2 2684/4885NOS3 4006/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 XIAP 3896/4885BIRC2 2684/4885NOS3 4006/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 XIAP 3896/4885BIRC2 2684/4885NOS3 4006/4885
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E XIAP 1854/4885BIRC2 2944/4885NOS3 2842/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 XIAP 3896/4885BIRC2 2684/4885NOS3 4006/4885

“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.