SCHEMBL855097

SCHEMBL855097

CN(C)CCOc1c(-c2ccccc2)[nH]c(=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.50
SERPINE1 P05121 1/20 0.48
PARP1 P09874 5/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 2/20 0.44
PARP3 Q9Y6F1 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
HTR1B P28222 1/20 0.41
KAT2B Q92831 1/20 0.41
PARP2 Q9UGN5 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
LTA4H P09960 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
SCHEMBL853973 0.87 HTR2A (0.47) SERPINE1PARP1HTR2AHTR2CPARP3
SCHEMBL854082 0.87 PARP1 (0.64) PARP1PARP3PARP2
SCHEMBL3555901 0.85 HTR2A (0.58) HTR2AHTR2CHTR7ALDH1A1HTR1B
SCHEMBL854605 0.83 HTR2A (0.46) SERPINE1PARP1HTR2AHTR2CPARP3
Hydrochloric Acid SCHEMBL853219 0.82 HTR2A (0.45) SERPINE1PARP1HTR2AHTR2CPARP3
SCHEMBL853419 0.82 PARP1 (0.63) SERPINE1PARP1PARP3PARP2
SCHEMBL853557 0.82 SERPINE1 (0.51) SERPINE1PARP1PARP3ALDH1A1PARP2
SCHEMBL854135 0.81 SERPINE1 (0.48) SERPINE1PARP1PARP3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL854346 0.81 PARP1 (0.62) SERPINE1PARP1PARP3PARP2
SCHEMBL854296 0.81 PARP1 (0.56) SERPINE1PARP1PARP3PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 EP claimed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 US claimed
US-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 US claimed
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 EP claimed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 WO claimed
EP-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 EP disclosed
US-8993594-B2 Isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 US disclosed
US-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-21 US disclosed
EP-2432765-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-03-28 EP disclosed
WO-2010133647-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-25 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-20120157454-A1 ISOQUINOLIN-1 (2H) -ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 TNKS 14/4885SERPINE1 658/4885PARP1 1/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 TNKS 14/4885SERPINE1 658/4885PARP1 1/4885

“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.