Sugi Predict

Sugi Predict / Compounds / SCHEMBL2889310

SCHEMBL2889310

SCHEMBL2889310

CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)c1cncc(-c2ccccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 1/20 0.42
▸ LMNA P02545 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ADORA3 P0DMS8 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NR2E3 Q9Y5X4 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CCR1 P32246 1/20 0.34

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
SCHEMBL2892672 0.89 MT-CO2 (0.43) MT-CO2RORCKMT2ACYP1A2CYP3A4
SCHEMBL2889485 0.89 MT-CO2 (0.43) MT-CO2LMNARORCKMT2ACYP1A2
SCHEMBL2891573 0.86 MT-CO2 (0.43) MT-CO2LMNACNR1RORCKMT2A
SCHEMBL2889186 0.84 CNR1 (0.44) MT-CO2CNR1RORCKMT2AMEN1
SCHEMBL3647691 0.83 CNR1 (0.41) LMNACNR1KMT2AADORA3CYP1A2
SCHEMBL2889103 0.83 MT-CO2 (0.41) MT-CO2CNR1RORC
SCHEMBL2890768 0.82 MT-CO2 (0.41) MT-CO2RORCPOLB
SCHEMBL13028186 0.82 MT-CO2 (0.43) MT-CO2RORCCYP1A2CYP3A4CYP2C9
SCHEMBL2885431 0.82 MT-CO2 (0.41) MT-CO2LMNARORCKMT2ACYP1A2
SCHEMBL2890838 0.81 MT-CO2 (0.49) MT-CO2LMNACNR1RORCKMT2A

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 MT-CO2 2921/4885LMNA 3236/4885CNR1 640/4885

“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.