SCHEMBL14976552

SCHEMBL14976552

O=c1[nH]c(-c2ccc(N3CCOCC3)cc2)c(O)c2ccc(F)cc12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.66
PARP2 Q9UGN5 3/20 0.66
SERPINE1 P05121 1/20 0.51
PARP3 Q9Y6F1 3/20 0.50
TNKS O95271 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
ALK Q9UM73 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
KIF11 P52732 2/20 0.42
TDO2 P48775 1/20 0.42
AKR1C3 P42330 1/20 0.41
XDH P47989 1/20 0.41
RPS6KA3 P51812 2/20 0.41
RPS6KA2 Q15349 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
PRKDC P78527 1/20 0.40

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
SCHEMBL14975963 0.85 PARP1 (0.69) PARP1PARP2SERPINE1PARP3TDO2
SCHEMBL14976135 0.82 SERPINE1 (0.73) PARP1PARP2SERPINE1PARP3
SCHEMBL14977380 0.80 PARP1 (1.00) PARP1PARP2PARP3
SCHEMBL30419055 0.80 PARP1 (1.00) PARP1PARP2PARP3
Hydrochloric Acid SCHEMBL14976144 0.79 PARP1 (0.98) PARP1PARP2PARP3
SCHEMBL14976004 0.77 SERPINE1 (0.66) PARP1PARP2SERPINE1PARP3
SCHEMBL853270 0.76 SERPINE1 (0.69) PARP1PARP2SERPINE1PARP3
SCHEMBL14977334 0.76 PARP1 (0.65) PARP1PARP2SERPINE1PARP3
SCHEMBL14976380 0.74 PARP1 (0.62) PARP1PARP2SERPINE1PARP3
SCHEMBL16227079 0.74 PARP1 (0.68) PARP1PARP2PARP3

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-2788328-B1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2018-01-31 EP disclosed
US-9422243-B2 3-phenyl-isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. a corporation (IT) 2016-08-23 US disclosed
US-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. a corporation 2014-11-13 US disclosed
EP-2788328-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-10-15 EP disclosed
WO-2013076090-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 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-20140336192-A1 3-PHENYL-ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885SERPINE1 446/4885

“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.