SCHEMBL109562

SCHEMBL109562

Fc1ccc(-c2c(C(F)(F)F)nc3n2CCNC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.47
TGFBR1 P36897 2/20 0.44
CSNK1D P48730 4/20 0.39
CSNK1E P49674 4/20 0.39
GSK3B P49841 3/20 0.38
DYRK1A Q13627 3/20 0.38
WNT1 P04628 1/20 0.38
HDAC2 Q92769 1/20 0.36
HTR7 P34969 2/20 0.35
HTR2B P41595 2/20 0.35
HTR1A P08908 1/20 0.35
HTR6 P50406 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ENPP1 P22413 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SCHEMBL10095064 0.88 P2RX7 (0.45) P2RX7TGFBR1HTR2AHTR2C
SCHEMBL2069845 0.82 TGFBR1 (0.60) TGFBR1CSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL25268913 0.76 MAPK14 (0.55) TGFBR1CSNK1DCSNK1EGSK3B
SCHEMBL15340400 0.76 TGFBR1 (0.55) TGFBR1CSNK1DCSNK1EHTR2BHTR2A
SCHEMBL5273467 0.76 ADRB1 (0.30)
SCHEMBL10095065 0.75 HTR7 (0.39) P2RX7TGFBR1HTR7HTR1AHTR2A
SCHEMBL19495428 0.72 TGFBR1 (0.48) TGFBR1CSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL15830769 0.72 TGFBR1 (0.48) TGFBR1CSNK1DCSNK1EGSK3BDYRK1A
SCHEMBL10095034 0.72 P2RX7 (0.38) P2RX7
SCHEMBL1203436 0.71 GSK3B (0.56) P2RX7TGFBR1GSK3BDYRK1AWNT1

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-2424867-B1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
EP-2424867-B1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2013-09-18 EP disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-8513248-B2 5,6,7,8-tetrahydroimidazo[1,2-A]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-20 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-07-05 US disclosed
EP-2424867-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO disclosed
WO-2010125101-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 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-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 P2RX7 1/4885TGFBR1 873/4885CSNK1D 1139/4885

“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.