SCHEMBL2086497

SCHEMBL2086497

CC(C)[Si](Oc1cccc2[nH]c(C3=CCCC3)cc12)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 3/20 0.38
▸ CCNT1 O60563 5/20 0.33
▸ CDK9 P50750 5/20 0.33
▸ HTR1A P08908 3/20 0.32
▸ ITK Q08881 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ KIT P10721 2/20 0.32
▸ LMNA P02545 1/20 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
SCHEMBL3365172 0.83 MEN1 (0.43) CCNT1CDK9
SCHEMBL2088357 0.76 ITK (0.41) CSF1RCCNT1CDK9HTR1AITK
SCHEMBL2086913 0.75 ITK (0.39) CSF1RHTR1AITKABCB11ADRA2A
SCHEMBL2087463 0.73 HRH4 (0.37) CSF1RKITLMNA
SCHEMBL2087832 0.72 F9 (0.42) CCNT1CDK9ITK
SCHEMBL2086140 0.69 CCNT1 (0.38) CCNT1CDK9LMNA
SCHEMBL2086122 0.69 MAOB (0.43) CCNT1CDK9ITK
SCHEMBL31181951 0.67 RAB9A (0.50) ITKLMNA
SCHEMBL2085643 0.67 RAB9A (0.50) ITKLMNA
SCHEMBL2087774 0.66 HTR1B (0.51) HTR1ADRD3LMNA

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 CSF1R 1725/4885CCNT1 2755/4885CDK9 273/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 CSF1R 1725/4885CCNT1 2755/4885CDK9 273/4885

“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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