SCHEMBL356238

SCHEMBL356238

[CH2]CCN1CCS(=O)(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 3/20 0.34
ADRA2B P18089 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2016182 0.86 KMT2A (0.36) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL5564599 0.84 HRH3 (0.36) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL357820 0.79 KMT2A (0.41) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL178300 0.77 KMT2A (0.44) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL1099307 0.77 KMT2A (0.39) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL23226887 0.75 ALDH1A1 (0.39) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL1099428 0.75 KMT2A (0.38) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL22025526 0.75 KMT2A (0.42) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL479863 0.75 ALOX15 (0.57) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL9157084 0.75 KMT2A (0.42) KMT2AMEN1CYP2C19ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3750894-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2024-04-03 EP claimed
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP claimed
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP claimed
CN-111788207-B Dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-03-23 CN claimed
CN-111757885-B Urea-substituted aromatic ring-connected dioxane quinoline compound and preparation method and application thereof 北京赛特明强医药科技有限公司 2021-01-29 CN claimed
US-20200399284-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2020-12-24 US claimed
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2020-12-24 US claimed
EP-3750894-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP claimed
EP-3750893-A1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF Beijing Scitech-MQ Pharmaceuticals Limited (CN) 2020-12-16 EP claimed
CN-110156804-A A kind of dioxanes and quinolines and preparation method thereof 北京赛特明强医药科技有限公司 2019-08-23 CN claimed
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles WYETH HOLDINGS CORPORATION 2003-11-13 US claimed
EP-1319001-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM PLC (GB) 2003-06-18 EP claimed
EP-1226126-A1 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2002-07-31 EP claimed
WO-2002024694-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIDAZINES AS ANTIDIABETICS SMITHKLINE BEECHAM, P.L.C. (GB) 2002-03-28 WO claimed
US-6294532-B1 TREATMENT OF A NUMBER OF DISEASE STATES INCLUDING CANCER AND RHEUMATOID ARTHRITIS. ZENECA LIMITED (GB) 2001-09-25 US claimed
WO-2001027089-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2001-04-19 WO claimed
EP-1005470-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 2000-06-07 EP claimed
EP-0929526-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1999-07-21 EP claimed
WO-1999010349-A1 OXINDOLYLQUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ZENECA LIMITED (GB) 1999-03-04 WO claimed
WO-1998013350-A1 QINOLINE DERIVATIVES INHIBITING THE EFFECT OF GROWTH FACTORS SUCH AS VEGF ZENECA LIMITED (GB) 1998-04-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200399284-A1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF RET, BRAF, RAF1 KMT2A 754/4885MEN1 3338/4885CYP2C19 792/4885
US-20030212276-A1 Process for the preparation of 7-substituted-3 quinolinecarbonitriles MAP4K2, MAP3K7, MAP4K1 KMT2A 1769/4885MEN1 1520/4885CYP2C19 1450/4885
US-20200399285-A1 DIOXINOQUINOLINE COMPOUNDS, PREPARATION METHOD AND USES THEREOF KDR, MET, ABL1 KMT2A 335/4885MEN1 360/4885CYP2C19 202/4885

“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.