SCHEMBL2445152

SCHEMBL2445152

CC[C]1N=c2ccccc2=N1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MGLL Q99685 1/20 0.32
DDAH1 O94760 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
KCNN4 O15554 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HCAR1 Q9BXC0 1/20 0.30
TRPA1 O75762 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
SCHEMBL211306 0.67 TSHR (0.39) CYP1A2ALDH1A1L3MBTL1
Alcohol SCHEMBL28141224 0.67 APAF1 (0.32) GABRA1GABRB2ALDH1A1L3MBTL1
SCHEMBL36294 0.65 GABRA1 (0.58) TP53GABRA1GABRB2MGLLALDH1A1
SCHEMBL21316061 0.65 MAPT (0.41) CYP2A6ALDH1A1MAPT
SCHEMBL29390847 0.65 GABRA1 (0.58) TP53GABRA1GABRB2MGLLALDH1A1
SCHEMBL25425763 0.65 GABRA1 (0.58) TP53GABRA1GABRB2MGLLALDH1A1
Benzene SCHEMBL3122858 0.63 TP53 (0.56) TP53GABRA1GABRB2MGLLMAPT
Ammonia Solution, Strong SCHEMBL2638008 0.63 GABRA1 (0.55) TP53GABRA1GABRB2MGLLALDH1A1
SCHEMBL7542830 0.63 GABRA1 (0.55) TP53GABRA1GABRB2MGLLALDH1A1
SCHEMBL25402639 0.63 GABRA1 (0.55) TP53GABRA1GABRB2MGLLALDH1A1

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-8796280-B2 2,3-disubstituted pyrazinesulfonamides as CRTH2 inhibitors Merck Serono, S.A. (CH) 2014-08-05 US disclosed
CN-101217957-B 2, 3-substituted pyrazine sulfonamides as CRTH2 inhibitors MERCK SERONO SA 2012-04-04 CN disclosed
EP-1871374-B1 2,3 SUBSTITUTED PYRAZINE SULFONAMIDES AS INHIBITORS OF CRTH2 MERCK SERONO SA (CH) 2011-09-14 EP disclosed
US-20090054447-A1 2,3 Substituted Pyrazine Sulfonamides as Inhibitors of CRTH2 LABORATOIRES SERONO S.A. (CH) 2009-02-26 US disclosed
CN-101217957-A 2,3 substituted pyrazine sulfonamides as inhibitors of CRTH2 SERONO LAB (CH) 2008-07-09 CN disclosed
EP-1871374-A2 2,3 SUBSTITUTED PYRAZINE SULFONAMIDES AS INHIBITORS OF CRTH2 Laboratoires Serono SA (CH) 2008-01-02 EP disclosed
WO-2006111560-A2 2,3 SUBSTITUTED PYRAZINE SULFONAMIDES AS INHIBITORS OF CRTH2 LABORATOIRES SERONO S.A. (CH) 2006-10-26 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-20090054447-A1 2,3 Substituted Pyrazine Sulfonamides as Inhibitors of CRTH2 HRH2, HRH1, HRH4 TP53 4464/4885GABRA1 4489/4885GABRB2 3700/4885

“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.