SCHEMBL2890768

SCHEMBL2890768

CC(C)(C)OC(=O)N(c1ccc(Cl)cc1)c1cncc(-c2ccn[nH]2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.41
POLB P06746 1/20 0.34
PTPN11 Q06124 1/20 0.34
CYP4F2 P78329 14/20 0.33
CYP4A11 Q02928 14/20 0.33
NLRP3 Q96P20 1/20 0.33
RORC P51449 1/20 0.33
ATR Q13535 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
SCHEMBL3649237 0.84 POLB (0.39) POLBPTPN11CYP4F2CYP4A11ATR
SCHEMBL2889310 0.82 MT-CO2 (0.42) MT-CO2POLBRORC
SCHEMBL2892672 0.82 MT-CO2 (0.43) MT-CO2POLBRORC
SCHEMBL2889485 0.82 MT-CO2 (0.43) MT-CO2RORC
SCHEMBL13028186 0.81 MT-CO2 (0.43) MT-CO2RORC
SCHEMBL2890838 0.80 MT-CO2 (0.49) MT-CO2RORC
SCHEMBL2891573 0.79 MT-CO2 (0.43) MT-CO2RORC
SCHEMBL2885431 0.79 MT-CO2 (0.41) MT-CO2RORC
SCHEMBL2889186 0.77 CNR1 (0.44) MT-CO2RORC
SCHEMBL2889103 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 2 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-20100286161-A1 PYRAZINE DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2010-11-11 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 (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 2921/4885POLB 4792/4885PTPN11 1830/4885

“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.