SCHEMBL107481

SCHEMBL107481

Cc1ccc(C(=O)Cl)c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 4/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
PTGS2 P35354 4/20 0.37
TTR P02766 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
METTL3 Q86U44 2/20 0.37
AKR1B10 O60218 1/20 0.37
ABCB11 O95342 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
FABP2 P12104 1/20 0.37
RXRA P19793 1/20 0.37
TBXA2R P21731 1/20 0.37
NR4A1 P22736 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL103521 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1KMT2AALOX15CYP1A2
SCHEMBL28873539 0.84 ALOX15 (0.34) CLCN2ALDH1A1LMNAPTGS2TTR
SCHEMBL11214195 0.82 CLCN2 (0.38) CLCN2ALDH1A1LMNAPTGS2TTR
SCHEMBL109811 0.82 CLCN2 (0.49) CLCN2ALDH1A1PTGS2TTRMEN1
SCHEMBL19912810 0.81 HPGD (0.42) CLCN2ALDH1A1LMNAPTGS2TTR
SCHEMBL2963108 0.80 P2RX7 (0.46) CLCN2ALDH1A1PTGS2TTRMEN1
SCHEMBL7586888 0.80 CLCN2 (0.49) CLCN2ALDH1A1LMNAPTGS2TTR
SCHEMBL28203915 0.78 ALDH1A1 (0.36) CLCN2ALDH1A1LMNATTRKMT2A
SCHEMBL11281015 0.78 ALDH1A1 (0.38) ALDH1A1LMNAPTGS2MAPK1KMT2A
SCHEMBL27459872 0.77 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AALOX15USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
US-5969200-A CHLORINATING PARA-TOLUOYL CHLORIDE IN PRESENCE OF CHLORINE GAS AND ALUMINUM CHLORIDE OR ANTIMONY CHLORIDE CATALYST, DISTILLING MIXTURE PRODUCED TO RECOVER 3,5-DICHLORO-4-METHYLBENZOYL CHLORIDE ROHM AND HAAS COMPANY (US) 1999-10-19 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-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 CLCN2 1170/4885ALDH1A1 2283/4885LMNA 4766/4885

“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.