SCHEMBL111003

SCHEMBL111003

c1ccc(-c2cnc3cnccn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.60
CHEK1 O14757 4/20 0.56
GSK3B P49841 1/20 0.56
MAP4K4 O95819 1/20 0.54
CSF1R P07333 1/20 0.54
PRKACA P17612 1/20 0.54
CDK8 P49336 1/20 0.54
MAP2K1 Q02750 1/20 0.54
ACVR1 Q04771 1/20 0.54
MAP4K2 Q12851 1/20 0.54
ROCK1 Q13464 1/20 0.54
DYRK1A Q13627 1/20 0.54
AURKB Q96GD4 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
FLT3 P36888 4/20 0.51
FYN P06241 4/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
ABL1 P00519 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL2663392 0.81 CHEK1 (0.50) KDRCHEK1GSK3BMAP4K4DYRK1A
SCHEMBL2650330 0.79 FLT3 (0.74) KDRCHEK1GSK3BMAP4K4CSF1R
SCHEMBL108241 0.79 GABRG2 (0.47) KDRCHEK1GSK3BDYRK1AABL1
SCHEMBL30168146 0.79 FLT3 (0.59) FLT3FYN
SCHEMBL15989379 0.79 NTRK1 (0.50) KDRCHEK1GSK3BFLT3FYN
SCHEMBL22044103 0.79 DDR1 (0.66) MKNK1MKNK2ABL1KITBCR
SCHEMBL2659202 0.78 GABRG2 (0.43) KDRCHEK1GSK3BMAP4K4CSF1R
SCHEMBL8365691 0.78 RIPK2 (0.51) DYRK1AFLT3FYNABL1KIT
SCHEMBL22044587 0.76 DDR1 (0.51) KDRCHEK1GSK3BFLT3FYN
SCHEMBL22044025 0.76 DDR1 (0.74) KDRABL1KITBCRDDR1

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 8 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
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
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
US-7485640-B2 Imidazopyrazinones as GABA-A receptor anxiolytics MERCK SHARP & DOHME LIMITED (GB) 2009-02-03 US disclosed
US-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic MERCK SHARP & DOHME LTD. (GB) 2006-01-19 US disclosed
WO-2004041826-A1 IMIDAZOPYRAZINONES AND IMIDAZOTRIAZINONES DERIVATES AS GABA-A RECEPTOR ANXIOLYTIC MERCK SHARP & DOHME LIMITED (GB) 2004-05-21 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 (2 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-20060014744-A1 Midazopyrazinones and imidazotriazinones derivates as gaba-a receptor anxiolytic GABRA3, GABRA2, GABRA1 KDR 1965/4885CHEK1 1635/4885GSK3B 1554/4885
US-20120172366-A1 5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 KDR 1115/4885CHEK1 4127/4885GSK3B 2053/4885

“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.