SCHEMBL3361926

SCHEMBL3361926

COc1cccc2[nH]c3c4c(c5c(c3c12)C(=O)N(CN1CCOCC1)C5=O)CCC4

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 9/20 0.81
▸ PARP2 Q9UGN5 1/20 0.81
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ PDE5A O76074 2/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PKM P14618 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
SCHEMBL12786188 0.92 PARP1 (0.86) PARP1PARP2KDM4EALDH1A1GAA
Cep-9722 SCHEMBL29374944 0.90 PARP1 (1.00) PARP1PARP2KDM4EALDH1A1GAA
Cep-9722 SCHEMBL3359996 0.90 PARP1 (1.00) PARP1PARP2KDM4EALDH1A1GAA
SCHEMBL14980877 0.84 PARP1 (0.59) PARP1PARP2KDM4EALDH1A1HSD17B10
SCHEMBL14169516 0.81 PARP1 (0.71) PARP1PARP2KDM4EALDH1A1GAA
SCHEMBL12786144 0.80 PARP1 (0.82) PARP1PARP2KDM4EALDH1A1PDE5A
SCHEMBL26485278 0.80 PARP1 (0.68) PARP1PARP2KDM4EALDH1A1GAA
SCHEMBL3362343 0.80 PARP1 (0.68) PARP1PARP2KDM4EALDH1A1GAA
SCHEMBL14980875 0.80 PARP1 (0.68) PARP1PARP2KDM4EALDH1A1GAA
SCHEMBL12786120 0.80 PARP1 (0.53) PARP1PARP2KDM4EALDH1A1GAA

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
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-2086525-B1 METHOD OF RADIO-SENSITIZING TUMORS USING A RADIO-SENSITIZING AGENT CEPHALON INC (US) 2010-10-06 — — EP disclosed
US-20080146556-A1 Method of radio-sensitizing tumors using a radio-sensitizing agent CEPHALON, INC. (US) 2008-06-19 — — US disclosed
US-20080146556-A1 Method of radio-sensitizing tumors using a radio-sensitizing agent CEPHALON, INC. (US) 2008-06-19 — — US disclosed
WO-2007149451-A2 CYCLOALKANOPYRROLOCARBAZOLE DERIVATIVES AND THE USE THEREOF AS PARP, VEGFR2 AND MLK3 INHIBITORS CEPHALON, INC. (US) 2007-12-27 — — 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 (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-20080146556-A1 Method of radio-sensitizing tumors using a radio-sensitizing agent PARP1, PARP3, PARP2 PARP1 1/4885PARP2 3/4885KDM4E 1000/4885
US-20110059959-A1 NOVEL MULTICYCLIC COMPOUNDS AND THE USE THEREOF MLKL, PARP3, PARP1 PARP1 3/4885PARP2 5/4885KDM4E 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.

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