SCHEMBL2085643

SCHEMBL2085643

C1=C(c2cc3ccccc3[nH]2)CCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 4/20 0.50
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
KDR P35968 2/20 0.45
CHEK1 O14757 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ITK Q08881 2/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31181951 1.00 RAB9A (0.50) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL1174412 0.95 RAB9A (0.49) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL14498916 0.81 KDR (0.47) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5138986 0.77 SIGMAR1 (0.51) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL10510232 0.77 RAB9A (0.47) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL5584876 0.76 RAB9A (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL17384805 0.76 RAB9A (0.46) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL29208556 0.75 RAB9A (0.49) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL374022 0.74 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1
SCHEMBL29631691 0.74 RAB9A (0.74) RAB9ANPC1KDM4EMAPTMEN1

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 19 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
CN-101560213-B Polycyclic compound functioned as inhibitor of enzyme parp, vegfr2 and mlk3 and the application CEPHALON INC 2011-01-19 CN 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
CN-100554268-C Polycyclic compounds as inhibitors of PARP, VEGFR2 and MLK3 enzymes and uses CEPHALON INC (US) 2009-10-28 CN disclosed
CN-101560213-A Polycyclic compound functioned as inhibitor of enzyme parp, vegfr2 and mlk3 and the application CEPHALON INC (US) 2009-10-21 CN 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-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
CN-1440409-A Polycyclic compounds as inhibitors of PARP, VEGFR2 and MLK3 enzymes and uses CEPHALON INC (US) 2003-09-03 CN 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 RAB9A 4431/4885NPC1 4396/4885KDM4E 2445/4885
US-20020028815-A1 Novel multicyclic compounds and the use thereof MLKL, PARP3, PARP1 RAB9A 4431/4885NPC1 4396/4885KDM4E 2445/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 RAB9A 4431/4885NPC1 4396/4885KDM4E 2445/4885

“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.