SCHEMBL2086896

SCHEMBL2086896

NNC(=O)c1c2c(c3[nH]ccc3c1C(=O)NN)CCC2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
P2RX7 Q99572 11/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CFB P00751 1/20 0.33
GRM5 P41594 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
OGG1 O15527 1/20 0.31
BTK Q06187 2/20 0.31

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
SCHEMBL2087564 0.78 PARP1 (0.50) PARP1ALDH1A1KDM4ELMNAMAPT
SCHEMBL2086765 0.72 PARP1 (0.44) PARP1ALDH1A1KDM4EMAPTCFB
SCHEMBL31438295 0.63 PTPRC (0.44) ALDH1A1KDM4ELMNAMAPTGRM5
SCHEMBL2086780 0.63 PARP1 (1.00) PARP1
SCHEMBL2086766 0.62 PARP1 (0.65) PARP1KDM4EMEN1KMT2A
SCHEMBL5471429 0.60 KDM4E (0.46) P2RX7ALDH1A1KDM4ELMNAMAPT
SCHEMBL26091349 0.59 ALDH1A1 (0.41) P2RX7ALDH1A1KDM4ELMNAMAPT
SCHEMBL21190834 0.58 RAB9A (0.41) P2RX7ALDH1A1KDM4ELMNAMAPT
SCHEMBL5891583 0.57 DHPS (0.56) ALDH1A1MAPTGAA
SCHEMBL3493875 0.57 JAK3 (0.56)

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 13 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-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 3/4885P2RX7 644/4885ALDH1A1 1975/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 PARP1 3/4885P2RX7 644/4885ALDH1A1 1975/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PARP1 3/4885P2RX7 644/4885ALDH1A1 1975/4885

“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.