SCHEMBL3072183

SCHEMBL3072183

O=c1[nH]c2cc(CNCC3CCCCC3)ccc2n2ccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.60
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
METTL3 Q86U44 6/20 0.42
METTL14 Q9HCE5 6/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
PDE2A O00408 1/20 0.39
PDE6D O43924 1/20 0.39

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
SCHEMBL3068120 0.82 PARP1 (0.67) PARP1METTL3METTL14KDM4EALDH1A1
SCHEMBL30928050 0.75 PARP1 (0.71) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3084498 0.75 PARP1 (1.00) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3066710 0.74 PARP1 (0.67) PARP1METTL3METTL14HDAC6
SCHEMBL3087097 0.72 PARP1 (1.00) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3068633 0.70 PARP1 (0.81) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3495517 0.69 GRIA1 (0.61) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL29893170 0.67 PARP1 (0.56) PARP1GRIN2DGRIN3BGRIA1GRIA2
SCHEMBL3062580 0.67 PARP1 (0.89) PARP1METTL3METTL14ALDH1A1
SCHEMBL27768413 0.67 KDM4E (0.44) METTL3METTL14KDM4EALDH1A1HPGD

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.