SCHEMBL934746

SCHEMBL934746

Nc1ncc(-c2ccc(O)cc2)nc1-c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ATR Q13535 5/20 0.48
PIK3CG P48736 2/20 0.48
FYN P06241 1/20 0.47
PRKDC P78527 1/20 0.47
ATM Q13315 1/20 0.47
BCHE P06276 1/20 0.44
SMPD3 Q9NY59 1/20 0.43
LTA4H P09960 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41
MET P08581 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.41
DHFR P00374 1/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL12198438 0.86 ADK (0.52) MAPTNPC1SMN1; SMN2ATRPRKDC
SCHEMBL6696482 0.80 PIK3CG (0.55) MAPTATRPIK3CGPRKDCATM
SCHEMBL12198497 0.78 ADK (0.45) MAPTNPC1SMN1; SMN2ATRPRKDC
SCHEMBL2506364 0.78 ATR (0.42) MAPTNPC1SMN1; SMN2ATRPRKDC
SCHEMBL934795 0.78 ADORA1 (0.56) ATRPIK3CGPRKDCATMBCHE
SCHEMBL6701889 0.78 ADORA1 (0.56) ATRPIK3CGPRKDCATMBCHE
SCHEMBL934749 0.76 ATR (0.52) ATRPIK3CGFYNPRKDCATM
SCHEMBL13068297 0.75 ROCK1 (0.45) MAPTNPC1SMN1; SMN2ATRPRKDC
SCHEMBL12839576 0.74 MAPT (0.49) MAPTNPC1SMN1; SMN2ATRPRKDC
SCHEMBL10726997 0.74 FYN (0.58) MAPTNPC1SMN1; SMN2FYNSMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454261-B1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIV SIENA (IT) 2014-11-19 EP disclosed
US-8546147-B2 Imidazo[1,2-α]pyrazin-3(7H)-one derivatives bearing a new electron-rich structure UNIVERSITA DEGLI STUDI DI SIENA (IT) 2013-10-01 US disclosed
US-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÁ DEGLI STUDI DI SIENA (IT) 2012-07-05 US disclosed
EP-2454261-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE Universita Degli Studi di Siena (IT) 2012-05-23 EP disclosed
WO-2011007314-A1 IMIDAZO[1,2-α]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2011-01-20 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-20120171703-A1 IMIDAZO[1,2-ALPHA]PYRAZIN-3(7H)-ONE DERIVATIVES BEARING A NEW ELECTRON-RICH STRUCTURE GLB1, NDUFV1, IK MAPT 4536/4885NPC1 1816/4885SMN1; SMN2 4562/4885

“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.