SCHEMBL1866787

SCHEMBL1866787

NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(Cc3ccc4ccccc4n3)CC1)C2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 13/20 0.56
PARP2 Q9UGN5 7/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2B6 P20813 1/20 0.54

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
SCHEMBL1866908 0.88 PARP1 (0.72) PARP1PARP2
SCHEMBL6122862 0.81 PARP1 (0.63) PARP1PARP2CYP2D6CYP2B6
SCHEMBL1871245 0.78 PARP1 (0.69) PARP1PARP2CYP2D6CYP2B6
SCHEMBL1866868 0.76 PARP1 (0.55) PARP1PARP2CYP2D6CYP2B6
SCHEMBL1866599 0.75 PARP1 (0.79) PARP1PARP2CYP2D6CYP2B6
SCHEMBL1863746 0.75 PARP1 (0.80) PARP1PARP2CYP2D6CYP2B6
SCHEMBL1867318 0.74 PARP1 (0.60) PARP1PARP2CYP2D6CYP2B6
SCHEMBL15662751 0.72 PARP1 (0.79) PARP1PARP2CYP2D6CYP2B6
SCHEMBL1860847 0.72 PARP1 (0.79) PARP1PARP2
SCHEMBL15662033 0.72 PARP1 (1.00) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245142-A1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-27 US claimed
EP-2454236-A1 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-05-23 EP claimed
WO-2011006794-A9 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 WO claimed
US-8877944-B2 3-oxo-2,3-dihydro-1H-isoindole-4-carboxamides as PARP inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-11-04 US disclosed
US-20120245142-A1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-27 US disclosed
EP-2454236-A1 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-05-23 EP disclosed
WO-2011006794-A9 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-05 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 (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-20120245142-A1 3-OXO-2,3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS PARP1, PARP2, PARP3 PARP1 1/4885PARP2 2/4885CYP2D6 2107/4885

“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.