SCHEMBL2846957

SCHEMBL2846957

CN(C)C=CC(=O)c1ccc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 5/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
RECQL P46063 2/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
ACKR3 P25106 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL3490146 1.00 GAA (0.68) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL30051056 1.00 GAA (0.68) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL17709004 0.85 CYP1A2 (0.58) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL17709006 0.85 CYP1A2 (0.58) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL30963318 0.85 CYP1A2 (0.58) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL29246712 0.84 CYP1A2 (0.57) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL25280307 0.84 GAA (0.65) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL25691607 0.84 GAA (0.65) GAACYP1A2CYP2C19TDP1HPGD
SCHEMBL6990865 0.84 CES2 (0.65) GAACYP2C19L3MBTL1CES2CES1
SCHEMBL6990872 0.84 CES2 (0.65) GAACYP2C19L3MBTL1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-10173996-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
EP-2443132-B1 PLATINUM (II) ISOQUINOLINE-PYRIDINE-BENZENE BASED COMPLEXES, PREPARING METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DIODES MADE THEREFROM VERSITECH LTD (CN) 2018-10-10 EP disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-9908865-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-03-06 US disclosed
US-8987461-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-03-24 US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 US disclosed
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-07-10 US disclosed
WO-2014089364-A1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS, INC (US) 2014-06-12 WO disclosed
WO-2014089364-A1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS, INC (US) 2014-06-12 WO disclosed
US-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes VERSITECH LIMITED (CN) 2010-12-16 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US 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 (4 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-10173996-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM1A GAA 2278/4885CYP1A2 1218/4885CYP2C19 1607/4885
US-20100314994-A1 Platinum (II) Isoqulinoline-Pyridine-Benzene Based Complexes, Methods for Making Same, and Organic Light-Emitting Diodes Including Such Complexes OCIAD2, PDCD1LG2, PDCD2L GAA 4134/4885CYP1A2 893/4885CYP2C19 1534/4885
US-20140194469-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A GAA 2278/4885CYP1A2 1218/4885CYP2C19 1607/4885
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 GAA 4647/4885CYP1A2 260/4885CYP2C19 244/4885

“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.