SCHEMBL1549985

SCHEMBL1549985

COc1ccc2c(=O)[nH]c3sc(CN(C)C)cc3c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.67
TNKS2 Q9H2K2 4/20 0.55
PARP15 Q460N3 3/20 0.55
PARP10 Q53GL7 3/20 0.55
PARP2 Q9UGN5 3/20 0.55
PARP14 Q460N5 1/20 0.55
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
PDE1B Q01064 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
TNKS O95271 1/20 0.37
ALDH1A1 P00352 3/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36

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 SCHEMBL1549722 0.99 PARP1 (0.69) PARP1TNKS2PARP15PARP10PARP2
SCHEMBL16472187 0.83 PARP1 (0.71) PARP1TNKS2PARP15PARP10PARP2
SCHEMBL1549708 0.82 PARP1 (0.70) PARP1TNKS2PARP15PARP10TNKS
SCHEMBL424273 0.81 PARP1 (0.97) PARP1TNKS2PARP15PARP10PARP2
Hydrochloric Acid SCHEMBL1549716 0.81 PARP1 (0.72) PARP1TNKS2PARP15PARP10TNKS
Hydrochloric Acid SCHEMBL4326979 0.80 PARP1 (1.00) PARP1TNKS2PARP15PARP10PARP2
SCHEMBL1549402 0.77 PARP1 (0.70) PARP1LMNATNKSALDH1A1
Hydrochloric Acid SCHEMBL1549814 0.76 PARP1 (0.72) PARP1LMNATNKSALDH1A1
SCHEMBL1549386 0.76 PARP1 (0.69) PARP1TNKS2PARP2KDM4ETNKS
Hydrochloric Acid SCHEMBL4326864 0.75 PARP1 (0.68) PARP1TNKS2PARP2KDM4ETNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313418-B1 THIENYL- AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM PELLICCIARI ROBERTO (IT) 2016-03-30 EP claimed
JP-2011525186-A 2011-09-15 JP claimed
EP-2313418-A1 THIENYL- AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM Wyeth LLC (US) 2011-04-27 EP claimed
US-20090325951-A1 THIENYL-AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM WYETH (US) 2009-12-31 US claimed
WO-2009155413-A1 THIENYL- AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM WYETH (US) 2009-12-23 WO claimed
EP-2313418-B1 THIENYL- AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM PELLICCIARI ROBERTO (IT) 2016-03-30 EP disclosed
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-8633215-B2 Thienyl-and furanyl-isoquinolinones and methods for using them Pellicciari, Roberto (IT) 2014-01-21 US disclosed
EP-2313418-A1 THIENYL- AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM Wyeth LLC (US) 2011-04-27 EP disclosed
US-20090325951-A1 THIENYL-AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM WYETH (US) 2009-12-31 US 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
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 1/4885TNKS2 20/4885PARP15 3/4885
US-20090325951-A1 THIENYL-AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM PARP1, PARP2, PARP15 PARP1 1/4885TNKS2 20/4885PARP15 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.