Sugi Predict

Sugi Predict / Compounds / SCHEMBL2889103

SCHEMBL2889103

SCHEMBL2889103

COc1cccnc1-c1cncc(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 1/20 0.41
▸ SCN2A Q99250 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ CCR9 P51686 1/20 0.34
▸ P2RX3 P56373 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ HCRTR2 O43614 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ SGMS2 Q8NHU3 1/20 0.32

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
SCHEMBL3650950 0.87 SCN2A (0.36) SCN2ASCN10AJAK2JAK1TYK2
SCHEMBL2889485 0.85 MT-CO2 (0.43) MT-CO2SCN2ASCN10ARORC
SCHEMBL2889310 0.83 MT-CO2 (0.42) MT-CO2CNR1RORC
SCHEMBL2892672 0.81 MT-CO2 (0.43) MT-CO2RORC
SCHEMBL2889186 0.80 CNR1 (0.44) MT-CO2SCN2ASCN10ACNR1RORC
SCHEMBL2891573 0.78 MT-CO2 (0.43) MT-CO2SCN2ASCN10ACNR1RORC
SCHEMBL2885431 0.78 MT-CO2 (0.41) MT-CO2MAPTRORC
SCHEMBL2890838 0.77 MT-CO2 (0.49) MT-CO2CNR1RORC
SCHEMBL2890768 0.77 MT-CO2 (0.41) MT-CO2RORC
SCHEMBL13028186 0.76 MT-CO2 (0.43) MT-CO2SCN2ASCN10ARORC

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 9 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
EP-2203436-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-07-07 — — EP disclosed
WO-2009037247-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2009-03-26 — — WO 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 MT-CO2 2921/4885SCN2A 59/4885SCN10A 77/4885

“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.