SCHEMBL189725

SCHEMBL189725

O=S(=O)(N1CCNCC1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.37
USP2 O75604 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 2/20 0.32
ADRB1 P08588 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRG2 P18507 1/20 0.30
NFKB1 P19838 1/20 0.30
GABRB3 P28472 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
Hydrochloric Acid SCHEMBL2593418 0.98 KDM4E (0.45) KDM4EMAPTUSP2ESR1ESR2
SCHEMBL29054940 0.88 KDM4E (0.47) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL29054905 0.88 KDM4E (0.47) KDM4EMAPTALDH1A1KMT2ALMNA
SCHEMBL7799885 0.82 ESR1 (0.39) ESR1ESR2PKMKMT2ALMNA
SCHEMBL29054910 0.78 KDM4E (0.46) KDM4EALDH1A1KMT2ACYP3A4TSHR
SCHEMBL1388961 0.77 CA1 (0.43) KDM4EUSP2ESR1ESR2ALDH1A1
SCHEMBL3119668 0.77 TSHR (0.42) KDM4EUSP2ESR1ESR2ALDH1A1
SCHEMBL18954349 0.77 KDM4E (0.44) KDM4EMAPTUSP2PDK1PDK2
SCHEMBL12139803 0.76 KDM4E (0.46) KDM4EMAPTUSP2ALDH1A1PKM
SCHEMBL4589973 0.76 KDM4E (0.42) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016115013-A1 CINNOLINE DERIVATIVES USEFUL AS CB-1 RECEPTOR INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 WO claimed
EP-3044210-A2 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE Cortendo AB (publ) (US) 2016-07-20 EP claimed
EP-0910415-B1 FLUORO-LABELLED ANTHRACYCLINE AND ANTHRACYCLINONE DERIVATIVES PHARMACIA ITALIA SPA (IT) 2004-05-12 EP claimed
JP-2000514784-A 2000-11-07 JP claimed
US-6103700-A FOR DIAGNOSING AMYLOIDOSIS PHARMACIA & UPJOHN S.P.A. (IT) 2000-08-15 US claimed
EP-0910415-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1999-04-28 EP claimed
WO-1997049433-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 WO claimed
US-20250145628-A1 PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF NOVO NORDISK A/S (DK) 2025-05-08 US disclosed
CN-119301126-A Pyrazolopyrimidine compound, composition containing pyrazolopyrimidine compound and application of pyrazolopyrimidine compound 诺和诺德股份有限公司 2025-01-10 CN disclosed
EP-4479402-A1 PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF Novo Nordisk A/S (DK) 2024-12-25 EP disclosed
EP-4289838-A2 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME Celgene Corporation (US) 2023-12-13 EP disclosed
CN-115403568-B Quinazoline Aurora A covalent inhibitor and preparation method and application thereof 中山大学 2023-09-29 CN disclosed
WO-2023155004-A1 PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF INVERSAGO PHARMA INC. (CA) 2023-08-24 WO disclosed
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 US disclosed
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIRAMED LIMITED (GB) 2008-03-27 US disclosed
WO-2007127175-A2 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
EP-0910415-B1 FLUORO-LABELLED ANTHRACYCLINE AND ANTHRACYCLINONE DERIVATIVES PHARMACIA ITALIA SPA (IT) 2004-05-12 EP disclosed
US-6103700-A FOR DIAGNOSING AMYLOIDOSIS PHARMACIA & UPJOHN S.P.A. (IT) 2000-08-15 US disclosed
EP-0910415-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1999-04-28 EP disclosed
WO-1997049433-A1 FLUORO LABELLED ANTHRACYCLINONE AND ANTHRACYCLINE DERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-12-31 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 (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-20250145628-A1 PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF CNR1, CNR2, TRPV1 KDM4E 2777/4885MAPT 74/4885USP2 4098/4885
US-20080076758-A1 1S,4S)-2-((2-(1H-indazol-4-yl)-4- morpholinothieno[3,2-d]pyrirnidin-6- yl)methyl)-5-methylsulfonyl-2,5- diaza-bicyclo[2.2.1]heptane; 2-(6-fluoropyridin-3-yl)-6-((4- methylsulfonylpiperazin-1-yl)methyl)-4- morpholinothieno[3,2-d]pyrimidine; treats cancer mediated by pik3 kinase; enzyme inhibitors PIK3CA, PIK3CD, PIK3CB KDM4E 529/4885MAPT 1800/4885USP2 2121/4885
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 KDM4E 852/4885MAPT 2077/4885USP2 4651/4885

“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.