Sugi Predict

Sugi Predict / Compounds / SCHEMBL2889186

SCHEMBL2889186

SCHEMBL2889186

COc1cccc(-c2cncc(N(C(=O)OC(C)(C)C)c3ccc(Cl)cc3)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.44
▸ MT-CO2 P00403 1/20 0.43
▸ RORC P51449 1/20 0.34
▸ SCN2A Q99250 2/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ PAX8 Q06710 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CRHR1 P34998 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
SCHEMBL14017847 0.90 CNR1 (0.40) CNR1MT-CO2RORCGPBAR1MEN1
SCHEMBL2891573 0.89 MT-CO2 (0.43) CNR1MT-CO2RORCSCN2ASCN10A
SCHEMBL3649322 0.86 CNR1 (0.47) CNR1SCN2ASCN10AGPBAR1MEN1
SCHEMBL2889310 0.84 MT-CO2 (0.42) CNR1MT-CO2RORCMEN1KMT2A
SCHEMBL2889485 0.81 MT-CO2 (0.43) MT-CO2RORCSCN2ASCN10AMEN1
SCHEMBL2892672 0.81 MT-CO2 (0.43) MT-CO2RORCMEN1KMT2A
SCHEMBL13028186 0.81 MT-CO2 (0.43) MT-CO2RORCSCN2ASCN10APAX8
SCHEMBL2889103 0.80 MT-CO2 (0.41) CNR1MT-CO2RORCSCN2ASCN10A
SCHEMBL2890838 0.79 MT-CO2 (0.49) CNR1MT-CO2RORCMEN1KMT2A
SCHEMBL2890768 0.77 MT-CO2 (0.41) MT-CO2RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-8415358-B2 Pyrazine derivatives and their use as potassium channel modulators NEUROSEARCH A/S (DK) 2013-04-09 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
US-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 — — US disclosed
WO-2009037247-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-03-26 — — 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-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNQ5, KCNA5 CNR1 640/4885MT-CO2 2921/4885RORC 1230/4885

“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.