SCHEMBL2086780

SCHEMBL2086780

O=C1NC(=O)c2c1c1c(c3[nH]ccc23)CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 1.00

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
SCHEMBL2086766 0.79 PARP1 (0.65) PARP1
SCHEMBL15968615 0.69 PARP1 (0.57) PARP1
SCHEMBL14980870 0.68 PARP1 (1.00) PARP1
SCHEMBL2087627 0.68 PARP1 (0.51) PARP1
SCHEMBL2087564 0.67 PARP1 (0.50) PARP1
SCHEMBL2086911 0.66 PARP1 (0.49) PARP1
SCHEMBL14346099 0.65 PARP1 (0.66) PARP1
SCHEMBL12846279 0.64 PARP1 (0.57) PARP1
SCHEMBL12786036 0.64 PARP1 (0.57) PARP1
SCHEMBL12846124 0.64 PARP1 (0.47) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771325-B2 Tricyclic compounds and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-26 US disclosed
US-9771325-B2 Tricyclic compounds and preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-26 US disclosed
US-20160362371-A1 NOVEL TRICYCLIC COMPOUNDS AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-15 US disclosed
US-20160362371-A1 NOVEL TRICYCLIC COMPOUNDS AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-12-15 US disclosed
WO-2015121876-A1 NOVEL TRICYCLIC COMPOUNDS AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-08-20 WO disclosed
US-8716493-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2014-05-06 US disclosed
EP-2066324-B1 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON INC (US) 2013-05-29 EP disclosed
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 US disclosed
EP-2050750-B1 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON INC (US) 2010-09-22 EP disclosed
EP-2050750-A2 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON, INC. (US) 2009-04-22 EP disclosed
EP-1754707-A2 Multicyclic compounds and their use as inhibitors of PARP, VEGFR2 and MLK3 enzymes CEPHALON, INC. (US) 2007-02-21 EP disclosed
US-20060276497-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-12-07 US disclosed
US-7122679-B2 Multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-10-17 US disclosed
EP-1294725-B1 MULTICYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON INC (US) 2006-01-04 EP disclosed
EP-1294725-A2 MULTICYCLIC COMPOUNDS AND THE USE THEREOF AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON, INC. (US) 2003-03-26 EP disclosed
US-20020028815-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. 2002-03-07 US disclosed
WO-2001085686-A2 MULTICYCLIC COMPOUNDS AND THE USE AS INHIBITORS OF PARP, VEGFR2 AND MLK3 ENZYMES CEPHALON, INC. (US) 2001-11-15 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 (4 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-20060276497-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 PARP1 3/4885
US-20160362371-A1 NOVEL TRICYCLIC COMPOUNDS AND PREPARATION THEREOF CYP11B1, CYP11B2, CYP51A1 PARP1 154/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 PARP1 3/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PARP1 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.