SCHEMBL875061

SCHEMBL875061

CC(C)(OCc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
MGLL Q99685 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
SLC16A3 O15427 4/20 0.38
SLC1A2 P43004 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
SLC16A1 P53985 2/20 0.36
MCTS1 Q9ULC4 1/20 0.36
PARL Q9H300 1/20 0.36
ALOX12 P18054 1/20 0.35
ELANE P08246 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
SCHEMBL874918 0.84 CCNE1 (0.38) CCNE1CDK2GSK3BMGLLALDH1A1
SCHEMBL18911357 0.80 FKBP1A (0.35) CCNE1CDK2GSK3BALDH1A1SLC16A3
SCHEMBL10617309 0.78 MEN1 (0.48) CCNE1CDK2GSK3BALDH1A1KMT2A
SCHEMBL13348467 0.77 MAPT (0.33)
SCHEMBL11563416 0.77 MEN1 (0.50) CCNE1CDK2GSK3BALDH1A1KMT2A
SCHEMBL11320576 0.77 MEN1 (0.50) CCNE1CDK2GSK3BALDH1A1KMT2A
SCHEMBL9712261 0.77 ALDH1A1 (0.41) CCNE1CDK2GSK3BALDH1A1MAPK1
SCHEMBL11042794 0.77 CCNE1 (0.41) CCNE1CDK2GSK3BALDH1A1KMT2A
SCHEMBL31212621 0.76 MGLL (0.39) CCNE1CDK2GSK3BMGLLALDH1A1
SCHEMBL874424 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AMAPK1HPGD

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2014-11-06 US disclosed
US-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2014-11-06 US disclosed
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 WO disclosed
WO-2013142269-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2013-09-26 WO disclosed
EP-2619208-A1 IMIDAZOTRIAZINONE COMPOUNDS Envivo Pharmaceuticals, Inc. (US) 2013-07-31 EP disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
WO-2012040230-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2012-03-29 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 (3 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-20140330014-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 CCNE1 4461/4885CDK2 1418/4885GSK3B 1917/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A CCNE1 4676/4885CDK2 2123/4885GSK3B 1941/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 CCNE1 4461/4885CDK2 1418/4885GSK3B 1917/4885

“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.