Sugi Predict

Sugi Predict / Compounds / SCHEMBL4518646

SCHEMBL4518646

SCHEMBL4518646

CN(C)S(=O)(=O)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA4 P22748 1/20 0.56
▸ CA6 P23280 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.53
▸ HTT P42858 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ PLCG1 P19174 1/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ C1R P00736 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ GSTO1 P78417 1/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KCNJ6 P48051 1/20 0.43
▸ KCNJ5 P48544 1/20 0.43
▸ KCNJ3 P48549 1/20 0.43

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
SCHEMBL29558069 1.00 CA1 (0.56) CA1CA2CA4CA6ALDH1A1
SCHEMBL9577231 0.83 ALDH1A1 (0.47) CA1CA2CA4CA6ALDH1A1
SCHEMBL29452062 0.82 ALDH1A1 (0.46) CA1CA2CA4CA6ALDH1A1
SCHEMBL6534930 0.80 MCOLN3 (0.58) CA1CA2CA4CA6L3MBTL1
SCHEMBL2782423 0.80 ALDH1A1 (0.45) CA1CA2CA4CA6ALDH1A1
SCHEMBL3649736 0.78 ALDH1A1 (0.53) CA1CA2CA4CA6ALDH1A1
SCHEMBL5049419 0.78 L3MBTL1 (0.76) CA1CA2CA4CA6HTT
SCHEMBL2335117 0.77 HTR2A (0.54) CA1CA2CA4CA6ALDH1A1
SCHEMBL4021727 0.76 ALDH1A1 (0.56) CA1CA2CA4CA6ALDH1A1
SCHEMBL4665197 0.76 ALDH1A1 (0.41) CA1CA2CA4CA6ALDH1A1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315796-B Compounds used as HPK1 kinase inhibitor, preparation method and application thereof 中国药科大学 2024-03-26 — — CN disclosed
CN-114315796-A Compound used as HPK1 kinase inhibitor and preparation method and application thereof 中国药科大学 2022-04-12 — — CN disclosed
EP-3429994-B1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LTD (GB) 2021-06-16 — — EP disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 — — US disclosed
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2019-01-10 — — US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — WO disclosed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 — — US disclosed
US-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-03-17 — — US disclosed
EP-1456172-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2004-09-15 — — EP disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 — — EP disclosed
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 — — WO disclosed
WO-2003053925-A1 PYRROLIDINE-2-ONES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-07-03 — — WO disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 — — WO disclosed
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 — — EP disclosed
US-5801174-A CEREBROVASCULAR DISORDERS NEUROSEARCH A/S (DK) 1998-09-01 — — US disclosed
WO-1996008495-A1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 — — 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 (6 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-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER USP7, USP47, USP2 CA1 1980/4885CA2 2805/4885CA4 2117/4885
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 CA1 4791/4885CA2 2748/4885CA4 3568/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 CA1 4791/4885CA2 2748/4885CA4 3568/4885
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 CA1 1980/4885CA2 2805/4885CA4 2117/4885
US-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors TFPI, F2, SERPINC1 CA1 3592/4885CA2 2970/4885CA4 3583/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL CA1 4804/4885CA2 3873/4885CA4 4605/4885

“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.

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