SCHEMBL2086145

SCHEMBL2086145

Cn1c(C2=CCCCC2)cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
ADRA2A P08913 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 4/20 0.40
CYP11B2 P19099 1/20 0.40
DAO P14920 1/20 0.38
MCL1 Q07820 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ATM Q13315 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL10103705 0.75 KMT2A (0.76) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL13197450 0.75 KMT2A (0.47) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL13196910 0.71 MEN1 (0.49) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL16760253 0.70 KMT2A (0.46) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL11994200 0.70 HCRTR1 (0.37) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL29581156 0.69 KMT2A (1.00) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL214075 0.69 KMT2A (1.00) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL6627037 0.68 KMT2A (0.50) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL8304311 0.67 KMT2A (0.81) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL13098452 0.67 MAT2A (0.43) KMT2AMAPTALDH1A1TDP1CYP11B2

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 8 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
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF CEPHALON, INC. (US) 2011-03-10 US disclosed
CN-101500563-A Cycloalkanopyrolocarbazole derivatives and the use thereof as PARP, VEGFR2 and MLK3 inhibitors CEPHALON INC (US) 2009-08-05 CN 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
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
US-20020028815-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. 2002-03-07 US 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 KMT2A 1727/4885KDM4E 2445/4885MAPT 1316/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 KMT2A 1727/4885KDM4E 2445/4885MAPT 1316/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 KMT2A 1727/4885KDM4E 2445/4885MAPT 1316/4885

“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.