SCHEMBL424273

SCHEMBL424273

CN(C)Cc1cc2c([nH]c(=O)c3ccccc32)s1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.97
TNKS O95271 8/20 0.44
PARP15 Q460N3 3/20 0.44
TNKS2 Q9H2K2 3/20 0.44
POLB P06746 2/20 0.43
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP12 Q9H0J9 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
Hydrochloric Acid SCHEMBL4326979 0.99 PARP1 (1.00) PARP1TNKSPARP15TNKS2POLB
SCHEMBL16472187 0.85 PARP1 (0.71) PARP1TNKSPARP15TNKS2PIM1
SCHEMBL1549708 0.83 PARP1 (0.70) PARP1TNKSPARP15TNKS2PIM1
SCHEMBL1549402 0.83 PARP1 (0.70) PARP1TNKSPOLBPIM1PIM2
SCHEMBL16472185 0.82 PARP1 (0.74) PARP1TNKSTNKS2PIM1PIM2
Hydrochloric Acid SCHEMBL1549716 0.82 PARP1 (0.72) PARP1TNKSPARP15TNKS2PIM1
Hydrochloric Acid SCHEMBL1549814 0.82 PARP1 (0.72) PARP1TNKSPOLBPIM1PIM2
SCHEMBL1549098 0.81 PARP1 (0.98) PARP1TNKSPOLBPIM1PIM2
SCHEMBL1549108 0.81 PARP1 (0.72) PARP1TNKSPIM1PIM2DRD2
SCHEMBL1549985 0.81 PARP1 (0.67) PARP1TNKSPARP15TNKS2PARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079915-B2 Thienyl- and furanyl-isoquinolinones and methods for using them Pellicciari, Robert (IT) 2015-07-14 US claimed
US-20140107117-A1 Thienyl- and Furanyl-Isoquinolinones and Methods for Using Them Moroni, Flavio (IT) 2014-04-17 US claimed
US-8633215-B2 Thienyl-and furanyl-isoquinolinones and methods for using them Pellicciari, Roberto (IT) 2014-01-21 US claimed
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US claimed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP claimed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US claimed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO claimed
WO-2010082813-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO claimed
US-9079915-B2 Thienyl- and furanyl-isoquinolinones and methods for using them Pellicciari, Robert (IT) 2015-07-14 US disclosed
US-20140107117-A1 Thienyl- and Furanyl-Isoquinolinones and Methods for Using Them Moroni, Flavio (IT) 2014-04-17 US disclosed
US-8633215-B2 Thienyl-and furanyl-isoquinolinones and methods for using them Pellicciari, Roberto (IT) 2014-01-21 US disclosed
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US disclosed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP disclosed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US disclosed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO disclosed
WO-2010082813-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO disclosed
US-20090325951-A1 THIENYL-AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM WYETH (US) 2009-12-31 US disclosed
WO-2009155413-A1 THIENYL- AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM WYETH (US) 2009-12-23 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-20140107117-A1 Thienyl- and Furanyl-Isoquinolinones and Methods for Using Them PARP1, PARP2, PARP15 PARP1 1/4885TNKS 13/4885PARP15 3/4885
US-20090325951-A1 THIENYL-AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM PARP1, PARP2, PARP15 PARP1 1/4885TNKS 13/4885PARP15 3/4885

“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.