SCHEMBL2087564

SCHEMBL2087564

O=C(O)c1c2c(c3[nH]ccc3c1C(=O)O)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.50
POLB P06746 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
RECQL P46063 1/20 0.35
CASP6 P55212 1/20 0.35
GFER P55789 1/20 0.35
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPRB P23467 1/20 0.35
PTPRE P23469 1/20 0.35
PTPN6 P29350 1/20 0.35
KEAP1 Q14145 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CFB P00751 5/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2086765 0.90 PARP1 (0.44) PARP1POLBL3MBTL1ALDH1A1TDP1
SCHEMBL2086896 0.78 PARP1 (0.46) PARP1ALDH1A1CFBMEN1KMT2A
SCHEMBL3661809 0.72 CDC7 (0.44) POLBL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL480352 0.68 CDC7 (0.48) PARP1ALDH1A1TDP1GFERMEN1
SCHEMBL3458298 0.67 CDC7 (0.47) PARP1ALDH1A1TDP1GFERMEN1
SCHEMBL2086780 0.67 PARP1 (1.00) PARP1
SCHEMBL2086766 0.66 PARP1 (0.65) PARP1MEN1KMT2AKDM4E
SCHEMBL29047484 0.66 P2RX7 (0.39) ALDH1A1PTPRCPTPN2PTPN1PTPRB
SCHEMBL28830826 0.64 PTPRC (0.39) ALDH1A1PTPRCPTPN2PTPN1PTPRB
SCHEMBL29853928 0.64 PTPRC (0.42) POLBL3MBTL1ALDH1A1TDP1RECQL

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
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-2066324-A2 CYCLOALKANOPYROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2009-06-10 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
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 WO 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 (3 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 3/4885POLB 625/4885L3MBTL1 2322/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 PARP1 3/4885POLB 625/4885L3MBTL1 2322/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PARP1 3/4885POLB 625/4885L3MBTL1 2322/4885

“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.