SCHEMBL18285281

SCHEMBL18285281

CC(C)(C)NC(=O)c1cc(I)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.40
PTPN1 P18031 1/20 0.40
ANO1 Q5XXA6 3/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
TP53 P04637 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HDAC2 Q92769 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
P2RY14 Q15391 1/20 0.37

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
SCHEMBL18496626 0.86 POLB (0.41) JAK2ANO1ALOX5APFEN1POLB
SCHEMBL18285347 0.86 P2RY14 (0.49) JAK2ANO1HDAC2P2RY14
SCHEMBL18285294 0.86 CNR1 (0.46) JAK2ANO1LMNATP53SCN10A
SCHEMBL18285284 0.84 CNR1 (0.37) PTPN1NPC1RAB9ASCN10AHDAC2
SCHEMBL19656312 0.84 SCN10A (0.47) JAK2PTPN1ANO1MAPTLMNA
SCHEMBL21003937 0.83 AKR1C3 (0.41) JAK2HTTLMNA
SCHEMBL18285282 0.83 JAK2 (0.45) JAK2PTPN1ANO1NPC1HTT
SCHEMBL29727626 0.83 JAK2 (0.45) JAK2PTPN1ANO1NPC1HTT
SCHEMBL18285283 0.79 SMN1; SMN2 (0.44) HTTRAB9AMAPTLMNA
SCHEMBL18706009 0.77 P2RY14 (0.44) JAK2ANO1MAPTLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563049-B Imidazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-11-29 CN disclosed
CN-109071451-B Pyrazole compounds as EAAT3 inhibitors 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
CN-107531642-B Imidazole derivatives 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 EP disclosed
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 EP disclosed
CN-107922391-B Pyridine and pyrimidine derivatives 豪夫迈·罗氏有限公司 2020-09-25 CN disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
US-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-06-14 US disclosed
US-20180118692-A1 IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
WO-2018069362-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-04-19 WO disclosed
WO-2018069362-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-04-19 WO disclosed
EP-3303299-A1 IMIDAZOLE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-04-11 EP disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO disclosed
WO-2017025523-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
WO-2017025523-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-02-16 WO disclosed
WO-2016193235-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-12-08 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-20180162824-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES MC3R, MC2R, NPY1R JAK2 564/4885PTPN1 1018/4885ANO1 902/4885
US-20180118692-A1 IMIDAZOLE DERIVATIVES DRD3, GABRR3, DRD4 JAK2 694/4885PTPN1 2548/4885ANO1 1134/4885
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 JAK2 145/4885PTPN1 3337/4885ANO1 956/4885

“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.