SCHEMBL305940

SCHEMBL305940

Cc1ccnc(C)c1C(=O)c1ncc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
LMNA P02545 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
CHUK O15111 1/20 0.34
ALDH1A1 P00352 2/20 0.34
IDH1 O75874 1/20 0.34
VCAM1 P19320 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
HSP90AA1 P07900 1/20 0.34
OPRK1 P41145 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL307595 0.80 PTGS2 (0.34) KMT2A
SCHEMBL305677 0.74 VCAM1 (0.54) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL10223204 0.74 CCR9 (0.45) ALDH1A1
SCHEMBL305749 0.72 MAPT (0.51) POLBLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10222533 0.72 POLB (0.39) POLBLMNAMEN1KMT2AMAPT
SCHEMBL307562 0.72 CASP6 (0.40) POLBLMNAMEN1KMT2AMAPT
SCHEMBL305684 0.72 POLB (0.35) POLBLMNATDP1L3MBTL1MEN1
SCHEMBL21999262 0.72 LMNA (0.51) POLBLMNAL3MBTL1MEN1KMT2A
SCHEMBL18714222 0.72 POLB (0.51) POLBLMNATDP1MEN1KMT2A
SCHEMBL308129 0.71 CCR2 (0.55)

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 46 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 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-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-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2019-02-19 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 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
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
EP-1838674-A2 HETEROARYL SULFONAMIDES AND CCR2 ChemoCentryx Inc (US) 2007-10-03 EP 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
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
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
US-20060173019-A1 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. 2006-08-03 US disclosed
WO-2006076644-A2 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. (US) 2006-07-20 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 (7 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-20060173019-A1 Heteroaryl sulfonamides and CCR2 CCR2, CXCR2, CCR1 POLB 3773/4885LMNA 4631/4885TDP1 4823/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885LMNA 4645/4885TDP1 4830/4885
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 POLB 4152/4885LMNA 4844/4885TDP1 3111/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885LMNA 4645/4885TDP1 4830/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885LMNA 4645/4885TDP1 4830/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885LMNA 4645/4885TDP1 4830/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 POLB 4044/4885LMNA 4645/4885TDP1 4830/4885

“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.