SCHEMBL4331908

SCHEMBL4331908

COc1cccc2c(=O)[nH]c3sc(CN4CCOCC4)cc3c12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
TNKS O95271 1/20 0.43
RAD52 P43351 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
PRKDC P78527 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE1B Q01064 1/20 0.40
PDE4B Q07343 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HTT P42858 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
SCHEMBL1549670 0.92 PARP1 (0.45) PARP1GAA
SCHEMBL1549734 0.91 PARP1 (0.44) PARP1KDM4EALDH1A1GAAHSD17B10
SCHEMBL1549034 0.87 PARP1 (0.41) PARP1ADORA2AADORA1KDM4E
SCHEMBL4330288 0.86 PARP1 (0.42) PARP1RAD52KDM4EALDH1A1
SCHEMBL1549414 0.84 PARP1 (0.59) PARP1TNKSADORA2AKDM4EALDH1A1
SCHEMBL4556469 0.81 KDM4E (0.42) PARP1TNKSRAD52ADORA2AADORA1
SCHEMBL1549386 0.78 PARP1 (0.69) PARP1TNKSKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4326864 0.77 PARP1 (0.68) PARP1TNKSKDM4EALDH1A1
SCHEMBL14750123 0.77 PARP1 (0.47) PARP1TNKSADORA2AADORA1KDM4E
SCHEMBL4330279 0.75 PARP1 (0.46) PARP1TNKS

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 14 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 disclosed
US-9079915-B2 Thienyl- and furanyl-isoquinolinones and methods for using them Pellicciari, Robert (IT) 2015-07-14 US disclosed
US-9079915-B2 Thienyl- and furanyl-isoquinolinones and methods for using them Pellicciari, Robert (IT) 2015-07-14 US 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-20140107117-A1 Thienyl- and Furanyl-Isoquinolinones and Methods for Using Them Moroni, Flavio (IT) 2014-04-17 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
US-8633215-B2 Thienyl-and furanyl-isoquinolinones and methods for using them Pellicciari, Roberto (IT) 2014-01-21 US 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
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 13/4885RAD52 110/4885
US-20090325951-A1 THIENYL-AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM PARP1, PARP2, PARP15 PARP1 1/4885TNKS 13/4885RAD52 110/4885

“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.