SCHEMBL7327732

SCHEMBL7327732

C[n+]1ccn2cc(-c3ccccc3)[nH]c(=O)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.39
TNKS2 Q9H2K2 3/20 0.39
PARP1 P09874 2/20 0.39
ADORA3 P0DMS8 6/20 0.38
NOTUM Q6P988 1/20 0.38
KDM4E B2RXH2 5/20 0.36
MAPT P10636 3/20 0.36
ADORA1 P30542 4/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
GAA P10253 3/20 0.35
ADORA2A P29274 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL7327605 0.87 TNKS (0.53) TNKSTNKS2PARP1ADORA3KDM4E
SCHEMBL7329545 0.86 TNKS (0.41) TNKSTNKS2PARP1KDM4EMAPT
SCHEMBL7328378 0.85 TNKS (0.38) TNKSTNKS2PARP1ADORA3KDM4E
SCHEMBL7336871 0.83 MAP2K1 (0.44) TNKSTNKS2PARP1ADORA3KDM4E
SCHEMBL7337601 0.82 TNKS (0.43) TNKSTNKS2PARP1ADORA3
SCHEMBL7328423 0.81 MAPT (0.42) TNKSTNKS2PARP1KDM4EMAPT
SCHEMBL7331035 0.80 MAPT (0.48) MAPTADORA1ADORA2AALDH1A1NPC1
SCHEMBL7337908 0.79 SCN10A (0.38) TNKSTNKS2PARP1NOTUMKDM4E
SCHEMBL14469279 0.76 EGFR (0.41) PARP1ADORA1ALDH1A1HPGDSMN1; SMN2
SCHEMBL15287401 0.70 TNKS (0.65) TNKSTNKS2PARP1ADORA3NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576085-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-08-18 US disclosed
US-7432265-B2 Imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-10-07 US disclosed
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2006-05-18 US disclosed
US-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors SCHERING CORPORATION 2004-04-01 US disclosed
EP-0726900-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS Aventis Pharma S.A. (FR) 1996-08-21 EP disclosed
WO-1995012594-A1 7H-IMIDAZO(1,2-a)PYRAZINE-8-ONE NMDA RECEPTOR ANTAGONISTS RHONE-POULENC RORER S.A. (FR) 1995-05-11 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-20040063715-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 TNKS 205/4885TNKS2 180/4885PARP1 654/4885
US-20060106023-A1 Novel imidazopyrazines as cyclin dependent kinase inhibitors CDK2, CDKN1A, CDK1 TNKS 254/4885TNKS2 234/4885PARP1 833/4885

“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.