Sugi Predict

Sugi Predict / Compounds / SCHEMBL126405

SCHEMBL126405

SCHEMBL126405

Cc1cnc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TSHR P16473 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ GPR35 Q9HC97 1/20 0.47
▸ CYP1A2 P05177 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ GRIN2D O15399 1/20 0.41
▸ GRIN3B O60391 1/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2A Q12879 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ GRIN2C Q14957 1/20 0.41
▸ GRIN3A Q8TCU5 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL30230648 1.00 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP3A4GPR35CYP1A2
SCHEMBL29600703 0.80 ERN1 (0.41) SMN1; SMN2CYP3A4CYP1A2LMNAMAPT
SCHEMBL761929 0.80 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCYP3A4GPR35CYP1A2
SCHEMBL202290 0.80 ERN1 (0.41) SMN1; SMN2CYP3A4CYP1A2LMNAMAPT
SCHEMBL2082959 0.78 ALDH1A1 (0.50) SMN1; SMN2TSHRCYP3A4GPR35CYP1A2
SCHEMBL12161594 0.78 SMN1; SMN2 (0.56) SMN1; SMN2TSHRCYP3A4GPR35CYP1A2
SCHEMBL541340 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP3A4GPR35CYP1A2
SCHEMBL1721986 0.77 ALDH1A1 (0.35) SMN1; SMN2CYP3A4GPR35CYP1A2MAPT
SCHEMBL131620 0.77 GPR35 (0.57) SMN1; SMN2TSHRCYP3A4GPR35KDM4E
SCHEMBL8559949 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TSHRCYP3A4GPR35CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 — — EP disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 — — US disclosed
WO-2024215809-A2 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-10-17 — — WO disclosed
CN-114507243-B Isothiazolo heterocyclic compounds, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-05-14 — — CN disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 — — WO disclosed
WO-2023031308-A1 CCR2 INHIBITORS ARTICA THERAPEUTICS B.V. (NL) 2023-03-09 — — WO disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 — — US disclosed
CN-114507243-A Isothiazole heterocyclic compound, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-05-17 — — CN disclosed
WO-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 — — WO disclosed
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-05-11 — — US disclosed
WO-2009009740-A1 FUSED HETEROARYL PYRIDYL AND PHENYL BENZENESUFLONAMIDES AS CCR2 MODULATORS FOR THE TREAMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2009-01-15 — — WO 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
EP-0013145-A2 Substituted anilinopyridines, processes for their preparation and intermediates for use therein, compositions and herbicidal use thereof ICI AUSTRALIA LIMITED (AU) 1980-07-09 — — EP 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-20060173019-A1 Heteroaryl sulfonamides and CCR2 CCR2, CXCR2, CCR1 SMN1; SMN2 2479/4885TSHR 1159/4885CYP3A4 1214/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 SMN1; SMN2 1898/4885TSHR 1094/4885CYP3A4 1934/4885
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 SMN1; SMN2 4160/4885TSHR 1824/4885CYP3A4 1108/4885
US-11001569-B2 6-membered heteroaromatic substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG SMN1; SMN2 4078/4885TSHR 4112/4885CYP3A4 3245/4885
US-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR SMN1; SMN2 2306/4885TSHR 277/4885CYP3A4 2427/4885

“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.