SCHEMBL4334382

SCHEMBL4334382

COc1cccc2c(=O)[nH]c3sc(CN(Cc4ccccc4)Cc4ccccc4)cc3c12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.52
TNKS O95271 2/20 0.42
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
ACHE P22303 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
UCHL1 P09936 1/20 0.36
MAOA P21397 2/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35

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
SCHEMBL1550286 0.91 PARP1 (0.53) PARP1TNKSKDM4EMAPK1TDP1
SCHEMBL1549386 0.85 PARP1 (0.69) PARP1TNKSKDM4EUSP2ALDH1A1
Hydrochloric Acid SCHEMBL4326864 0.84 PARP1 (0.68) PARP1TNKSKDM4EUSP2ALDH1A1
SCHEMBL1549679 0.84 PARP1 (0.70) PARP1TNKSALDH1A1TNKS2MAOA
SCHEMBL4330279 0.76 PARP1 (0.46) PARP1TNKSTNKS2ACHEABCG2
SCHEMBL1549397 0.75 PARP1 (0.74) PARP1KDM4EALDH1A1MAOA
SCHEMBL1549670 0.75 PARP1 (0.45) PARP1ACHE
SCHEMBL1549734 0.74 PARP1 (0.44) PARP1KDM4EALDH1A1
SCHEMBL17627312 0.74 PARP1 (0.65) PARP1TNKSKDM4EALDH1A1TDP1
SCHEMBL4331908 0.74 PARP1 (0.46) PARP1TNKSKDM4EALDH1A1

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 13/4885KDM4E 1196/4885
US-20090325951-A1 THIENYL-AND FURANYL-ISOQUINOLINONES AND METHODS FOR USING THEM PARP1, PARP2, PARP15 PARP1 1/4885TNKS 13/4885KDM4E 1196/4885

“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.