SCHEMBL5409639

SCHEMBL5409639

COc1cc(Cl)cc(OC)c1-c1ncc(N)nc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.41
CRHR1 P34998 2/20 0.39
DYRK1A Q13627 3/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
PLK4 O00444 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
LCK P06239 1/20 0.35
CDK1 P06493 1/20 0.35
CSF1R P07333 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CDK2 P24941 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
CSNK1D P48730 1/20 0.35
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL2416618 0.75 SCN2A (0.67) SCN2ADYRK1AGSK3AGSK3BCLK4
SCHEMBL6829973 0.72 CD274 (0.36) SCN2ACDK2AURKBKDM4EALDH1A1
SCHEMBL13745097 0.68 PIK3CA (0.35) CDK2AURKBP2RX3P2RX2PIK3CD
SCHEMBL12767704 0.66 PIK3CA (0.41) AURKBKDM4EPIK3CA
SCHEMBL2432983 0.66 SMN1; SMN2 (0.47) KDRKDM4EALDH1A1SMN1; SMN2PIK3CD
SCHEMBL2415308 0.66 SCN2A (0.48) SCN2ADYRK1AKDM4EHSP90AA1HSP90AB1
SCHEMBL23175220 0.66 HSP90AA1 (0.47) ALDH1A1HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL29625836 0.66 HSP90AA1 (0.47) ALDH1A1HSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL22491094 0.65 GAA (0.50) DYRK1AKDM4EALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL14612841 0.65 ALOX5AP (0.38) AURKBP2RX3P2RX2PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US claimed
EP-1500653-A1 Substituted arylpyrazines Neurogen Corporation (US) 2005-01-26 EP claimed
US-20030018035-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2003-01-23 US claimed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP claimed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 WO claimed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 US disclosed
US-6995161-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2006-02-07 US disclosed
US-20050215559-A1 Substituted arylpyrazines NEUROGEN CORPORATION 2005-09-29 US disclosed
EP-1255740-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2002-11-13 EP disclosed
WO-2001060806-A2 SUBSTITUTED ARYLPYRAZINES NEUROGEN CORPORATION (US) 2001-08-23 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 (3 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH SCN2A 792/4885CRHR1 1/4885DYRK1A 2169/4885
US-20050215559-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH SCN2A 792/4885CRHR1 1/4885DYRK1A 2169/4885
US-20030018035-A1 Substituted arylpyrazines CRHR1, CRHR2, CRH SCN2A 870/4885CRHR1 1/4885DYRK1A 2121/4885

“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.