SCHEMBL14993172

SCHEMBL14993172

Cc1cc(C#CCl)cc(C)c1C1C(=O)CC(Cc2ccccn2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.36
▸ PRKAG1 P54619 2/20 0.36
▸ PRKAA1 Q13131 2/20 0.36
▸ NEK1 Q96PY6 2/20 0.36
▸ PRKAB1 Q9Y478 2/20 0.36
▸ PDE4D Q08499 1/20 0.34
▸ GRM4 Q14833 1/20 0.31
▸ 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
SCHEMBL15001056 0.91 IKBKB (0.36) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL14992844 0.91 IKBKB (0.36) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL15001059 0.91 IKBKB (0.36) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427518 0.87 IKBKB (0.37) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427531 0.87 IKBKB (0.37) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427482 0.86 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427443 0.86 IKBKB (0.40) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL15001068 0.84 IKBKB (0.34) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL430745 0.84 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1
SCHEMBL427477 0.84 IKBKB (0.39) IKBKBPRKAG1PRKAA1NEK1PRKAB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785181-B1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2016-08-17 — — EP disclosed
US-9107415-B2 2-(substituted-phenyl)-cyclopentane-1,3-dione compounds, and derivatives thereof SYNGENTA PARTICPATIONS AG (CH) 2015-08-18 — — US disclosed
US-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2014-10-30 — — US disclosed
EP-2785181-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF Syngenta Limited (GB) 2014-10-08 — — EP disclosed
WO-2013079708-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF SYNGENTA LIMITED (GB) 2013-06-06 — — 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 (1 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-20140323303-A1 2-(SUBSTITUTED-PHENYL)-CYCLOPENTANE-1,3-DIONE COMPOUNDS, AND DERIVATIVES THEREOF CNPY2, CBR3, CBR1 IKBKB 4174/4885PRKAG1 3437/4885PRKAA1 3769/4885

“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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