Sugi Predict

Sugi Predict / Compounds / SCHEMBL5008096

SCHEMBL5008096

SCHEMBL5008096

O=C1NCC(c2ccccc2)c2c[nH]c3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 8/20 0.50
▸ PARP3 Q9Y6F1 1/20 0.44
▸ CDC7 O00311 2/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ IDO1 P14902 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL12750552 0.88 PARP1 (0.47) PARP1PARP3CDC7JAK2
SCHEMBL14084855 0.88 PARP1 (0.47) PARP1PARP3CDC7JAK2MEN1
SCHEMBL12750782 0.88 PARP1 (0.47) PARP1PARP3TNKS2IDO1MEN1
SCHEMBL12750548 0.88 PARP1 (0.47) PARP1PARP3CDC7IDO1JAK2
SCHEMBL5008048 0.85 JAK2 (0.45) PARP1TNKS2IDO1LMNAJAK2
SCHEMBL1315337 0.78 PARP3 (0.62) PARP3CDC7TNKS2MEN1CYP3A4
SCHEMBL8799810 0.76 PARP1 (0.50) PARP1PARP3
SCHEMBL8800208 0.76 PARP1 (0.50) PARP1PARP3
SCHEMBL8801679 0.76 PARP1 (0.50) PARP1PARP3
Hydrochloric Acid SCHEMBL8800428 0.75 PARP1 (0.49) PARP1PARP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 — — WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 — — US claimed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 — — US disclosed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 — — US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 — — US disclosed
US-RE41150-E1 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one EISAI CORPORATION OF NORTH AMERICA (US) 2010-02-23 — — US disclosed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 — — WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 — — US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 — — US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 — — US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 — — US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 — — US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 — — US disclosed
US-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2006-01-12 — — US disclosed
US-6977298-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases Agouron Pharmacetucals, Inc. (US) 2005-12-20 — — US disclosed
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2005-04-21 — — US disclosed
EP-1140936-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2004-03-17 — — EP disclosed
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases WEBBER STEPHEN EVAN (US) 2003-04-24 — — US disclosed
US-6495541-B1 POTENTIATION OF ANTICANCER THERAPIES AND INHIBITION OF NEUROTOXICITY CONSEQUENT TO STROKE, HEAD TRAUMA, AND NEURO-DEGENERATIVE DISEASES; SUCH AS 2-BROMO-3,4-DIHYDROPYRROLO-(4,3,2-DE)ISOGUINOLIN-5-ONE AGOURON PHARMACEUTICALS, INC. 2002-12-17 — — 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 (4 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-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 PARP1 1/4885PARP3 7/4885CDC7 1272/4885
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 PARP1 1/4885PARP3 7/4885CDC7 1272/4885
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885PARP3 4/4885CDC7 3271/4885
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP11, PARP2 PARP1 1/4885PARP3 8/4885CDC7 1365/4885

“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.