SCHEMBL2645530

SCHEMBL2645530

NNC(=O)c1c(F)ccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
MPO P05164 2/20 0.39
CYP3A4 P08684 2/20 0.39
BLM P54132 2/20 0.39
KDM5A P29375 1/20 0.39
GFER P55789 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
NSD2 O96028 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 1/20 0.38
ALPG P10696 1/20 0.38

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
SCHEMBL25366331 0.81 MAPT (0.41) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL1127907 0.80 CES2 (0.56) ALDH1A1MAPTL3MBTL1LMNACES2
SCHEMBL9425021 0.80 CA1 (0.52) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL8574757 0.78 GAA (0.48) ALDH1A1KDM4ELMNACES2CES1
SCHEMBL13753078 0.78 HDAC6 (0.40) KDM4ELMNACES2CES1POLB
SCHEMBL28013873 0.76 TYR (0.39) MAPTCYP3A4HTTTDP1MEN1
SCHEMBL13753146 0.75 L3MBTL1 (0.45) ALDH1A1KDM4EL3MBTL1POLBHTT
SCHEMBL7146004 0.75 CES2 (0.46) CES2CES1CA2CA1
SCHEMBL8570432 0.74 HTT (0.50) ALDH1A1KDM4ELMNACES2CES1
SCHEMBL7607496 0.74 HTT (0.56) LMNAGAAHTTRECQLCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-6872720-B2 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2005-03-29 US disclosed
US-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-27 US disclosed
EP-1282623-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-02-12 EP disclosed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US disclosed
WO-2001077111-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-10-18 WO disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 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 (1 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-20030060467-A1 Pyrazolo-triazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA4 ALDH1A1 1121/4885MAPT 1603/4885KDM4E 2798/4885

“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.