SCHEMBL2086913

SCHEMBL2086913

CCOCCOc1cccc2[nH]c(C3=CCCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 7/20 0.39
▸ CSF1R P07333 1/20 0.36
▸ HTR1A P08908 6/20 0.35
▸ NCF1 P14598 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL2088357 0.85 ITK (0.41) ITKCSF1RHTR1ALMNAABCB11
SCHEMBL2087832 0.83 F9 (0.42) ITKMEN1MAPTKMT2A
SCHEMBL3365172 0.80 MEN1 (0.43) MEN1MAPTKMT2A
SCHEMBL2086122 0.78 MAOB (0.43) ITK
SCHEMBL2086497 0.75 CSF1R (0.38) ITKCSF1RHTR1ALMNAABCB11
SCHEMBL2087463 0.71 HRH4 (0.37) CSF1RLMNAMEN1MAPTKMT2A
SCHEMBL4058163 0.68 NCF1 (0.53) NCF1MEN1MAPTKMT2A
SCHEMBL2086140 0.67 CCNT1 (0.38) LMNAMEN1MAPTKMT2A
SCHEMBL31181951 0.64 RAB9A (0.50) ITKLMNAMEN1MAPTKMT2A
SCHEMBL2085643 0.64 RAB9A (0.50) ITKLMNAMEN1MAPTKMT2A

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 6 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
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 — — WO disclosed
US-20060276497-A1 Novel multicyclic compounds and the use thereof CEPHALON, INC. (US) 2006-12-07 — — 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 (2 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 ITK 957/4885CSF1R 1725/4885HTR1A 1497/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 ITK 957/4885CSF1R 1725/4885HTR1A 1497/4885

“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.

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