SCHEMBL304896

SCHEMBL304896

Nc1cc(Cl)cnc1Sc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DDAH1 O94760 1/20 0.42
NOS1 P29475 1/20 0.42
CHUK O15111 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
PDE7A Q13946 3/20 0.37
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 0.37
PDE7B Q9NP56 2/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
THRB P10828 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
SCHEMBL15227203 0.85 ALDH1A1 (0.50) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL306834 0.74 PDE7A (0.62) MEN1KMT2ACHUKPDE7APDE4B
SCHEMBL344176 0.69 PDE7A (0.56) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL30989077 0.67 DDAH1 (0.52) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL25649830 0.67 DDAH1 (0.52) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL15226986 0.67 CYP1A2 (0.45) KDM4EALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL11493304 0.65 DDAH1 (0.70) KDM4EALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL15226973 0.65 POLB (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL13115676 0.65 DDAH1 (0.48) ALDH1A1CYP3A4MEN1KMT2ADDAH1
SCHEMBL15227034 0.64 ALDH1A1 (0.42) KDM4EALDH1A1HPGDCYP1A2CYP2C9

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 KDM4E 4539/4885ALDH1A1 2327/4885HPGD 1971/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KDM4E 4383/4885ALDH1A1 2834/4885HPGD 2694/4885
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 KDM4E 1650/4885ALDH1A1 1867/4885HPGD 4010/4885
US-10206912-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KDM4E 4383/4885ALDH1A1 2834/4885HPGD 2694/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 KDM4E 4383/4885ALDH1A1 2834/4885HPGD 2694/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 KDM4E 4383/4885ALDH1A1 2834/4885HPGD 2694/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 KDM4E 4383/4885ALDH1A1 2834/4885HPGD 2694/4885

“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.