SCHEMBL2086140

SCHEMBL2086140

COc1ccc2[nH]c(C3=CCCC3)cc2c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 5/20 0.38
▸ CDK9 P50750 5/20 0.38
▸ PSMB5 P28074 1/20 0.38
▸ TLR9 Q9NR96 2/20 0.36
▸ TLR7 Q9NYK1 2/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA6 P23280 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PTBP1 P26599 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3365172 0.82 MEN1 (0.43) CCNT1CDK9CA1CA2CA4
SCHEMBL2087223 0.72 CCNT1 (0.53) CCNT1CDK9
SCHEMBL9959635 0.70 ALDH1A1 (0.47) CA1CA2CA4CA6MEN1
SCHEMBL28807066 0.70 MEN1 (0.42) CA1CA2CA4CA6MEN1
SCHEMBL2086497 0.69 CSF1R (0.38) CCNT1CDK9LMNA
SCHEMBL2087463 0.69 HRH4 (0.37) CA1CA2CA4CA6MEN1
SCHEMBL2086913 0.67 ITK (0.39) MEN1KMT2AMAPTLMNA
SCHEMBL2088357 0.67 ITK (0.41) CCNT1CDK9LMNA
SCHEMBL16051838 0.66 CCNT1 (0.80) CCNT1CDK9
SCHEMBL557441 0.66 PSMB5 (0.52) PSMB5ALDH1A1HPGDKDM4E

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 CCNT1 2755/4885CDK9 273/4885PSMB5 2945/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 CCNT1 2755/4885CDK9 273/4885PSMB5 2945/4885

“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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