SCHEMBL853976

SCHEMBL853976

COc1cccc(C2=COc3ccccc3C(=O)N2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.74
CHEK1 O14757 1/20 0.51
GAA P10253 1/20 0.43
MAOB P27338 1/20 0.42
GSK3B P49841 2/20 0.42
PRKCA P17252 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NOTUM Q6P988 1/20 0.42
LMNA P02545 1/20 0.42
F2 P00734 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CG P48736 1/20 0.41
BRD4 O60885 2/20 0.41
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PGR P06401 2/20 0.41
CYP19A1 P11511 1/20 0.41

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
SCHEMBL853054 0.85 MAPT (0.54) MAPTCHEK1GAAGSK3BPRKCA
SCHEMBL854614 0.85 MAPT (1.00) MAPTCHEK1GAAMAOBGSK3B
SCHEMBL853543 0.80 MAPT (0.70) MAPTGAAGSK3BALDH1A1LMNA
SCHEMBL9930336 0.80 MAPT (0.56) MAPTCHEK1GAAMAOBGSK3B
SCHEMBL853592 0.70 MAPT (0.68) MAPTMAOBGSK3BALDH1A1HPGD
SCHEMBL854623 0.70 MAPT (0.57) MAPTMAOBGSK3BALDH1A1LMNA
SCHEMBL2020140 0.69 ABL1 (0.59) GAAMAOBALDH1A1LMNABRD4
SCHEMBL6170504 0.69 MAPT (0.55) MAPTGSK3BALDH1A1LMNAKMT2A
SCHEMBL9274293 0.69 MAPT (0.54) MAPTCHEK1GAAALDH1A1LMNA
SCHEMBL4789169 0.68 GSK3B (0.62) CHEK1GAAGSK3BPRKCA

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
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 MAPT 1619/4885CHEK1 180/4885GAA 3490/4885
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MAPT 1619/4885CHEK1 180/4885GAA 3490/4885

“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.