SCHEMBL3087097

SCHEMBL3087097

CN(C)Cc1ccc2c(c1)[nH]c(=O)c1nccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 1.00
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIA1 P42261 1/20 0.53
GRIA2 P42262 1/20 0.53
GRIA3 P42263 1/20 0.53
GRIA4 P48058 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
PDE2A O00408 1/20 0.47
PDE6D O43924 1/20 0.47
PDE8A O60658 1/20 0.47
PDE5A O76074 1/20 0.47
PDE9A O76083 1/20 0.47
PDE8B O95263 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 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
SCHEMBL30928050 0.83 PARP1 (0.71) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3084498 0.78 PARP1 (1.00) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3068560 0.77 PARP1 (0.98) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3495517 0.76 GRIA1 (0.61) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3068633 0.75 PARP1 (0.81) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3494657 0.73 PARP1 (0.57) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL31377420 0.73 PARP1 (0.57) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3072183 0.72 PARP1 (0.60) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL30273078 0.72 PDE2A (0.69) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL2818529 0.72 PDE2A (0.69) PARP1GRIN2DGRIN3BGRIA1GRIA2

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-2114948-B1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBVIE INC (US) 2014-06-25 EP disclosed
US-7790721-B2 Pyrroloquinoxalinone inhibitors of poly(ADP-ribose)polymerase ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2114948-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE Abbott Laboratories (US) 2009-11-11 EP disclosed
WO-2008082887-A2 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-10 WO disclosed
US-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE ABBOTT LABORATORIES (US) 2008-07-03 US 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-20080161292-A1 INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE PARP1, PARP2, PARP3 PARP1 1/4885GRIN2D 3490/4885GRIN3B 1637/4885

“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.