SCHEMBL2673941

SCHEMBL2673941

CCc1cc(-c2ncn[nH]2)c(C)[nH]c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 1/20 0.35
▸ GRIA1 P42261 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIA3 P42263 1/20 0.35
▸ GRIA4 P48058 1/20 0.35
▸ GRIK2 Q13002 1/20 0.35
▸ GRIK3 Q13003 1/20 0.35
▸ GRIK4 Q16099 1/20 0.35
▸ GRIK5 Q16478 1/20 0.35
▸ IDO1 P14902 5/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ PDE3B Q13370 4/20 0.34
▸ PDE3A Q14432 4/20 0.34
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 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
SCHEMBL27659830 0.76 JAK2 (0.40) GRIA1GRIA2GRIA3GRIA4IDO1
SCHEMBL2674395 0.76 S1PR1 (0.37) S1PR1PDE3BPDE3AGRIN2DGRIN3B
SCHEMBL2673255 0.72 GRIK1 (0.40) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2672378 0.72 S1PR1 (0.41) S1PR1PDE3BPDE3AGRIN2DGRIN3B
SCHEMBL6370921 0.70 S1PR1 (0.42) S1PR1PDE3BPDE3AGRIN2DGRIN3B
SCHEMBL6371741 0.70 S1PR1 (0.39) S1PR1PDE3BPDE3AGRIN2DGRIN3B
SCHEMBL21849204 0.69 IDO1 (0.56) IDO1HCRTR1HCRTR2KDM4EALDH1A1
SCHEMBL2673636 0.69 S1PR1 (0.43) S1PR1PDE3BPDE3AGRIN2DGRIN3B
SCHEMBL2674216 0.68 PDE3B (0.63) S1PR1PDE3BPDE3AAURKBINCENP
SCHEMBL2673117 0.67 S1PR1 (0.39) S1PR1PDE3BPDE3AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP claimed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US claimed
CN-1960975-A Substituted pyridones as poly (ADP-ribose) polymerase (PARP) inhibitors AVENTIS PHARMA INC (US) 2007-05-09 — — CN claimed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — WO claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
CN-1960975-A Substituted pyridones as poly (ADP-ribose) polymerase (PARP) inhibitors AVENTIS PHARMA INC (US) 2007-05-09 — — CN disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — 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 (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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 GRIK1 2352/4885GRIA1 1925/4885GRIA2 2261/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 GRIK1 2352/4885GRIA1 1925/4885GRIA2 2261/4885

“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.

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