SCHEMBL874918

SCHEMBL874918

CC(CCc1ccccc1)(OCc1ccccc1)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 5/20 0.35
PKM P14618 1/20 0.35
SSTR4 P31391 1/20 0.35
HSP90AA1 P07900 1/20 0.35
SLC1A2 P43004 1/20 0.34
HTR2C P28335 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL875061 0.84 CCNE1 (0.40) CCNE1CDK2GSK3BMGLLALDH1A1
SCHEMBL874423 0.78 ALDH1A1 (0.44) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL10617309 0.74 MEN1 (0.48) CCNE1CDK2GSK3BALDH1A1MEN1
SCHEMBL16875629 0.74 SMN1; SMN2 (0.40) ALDH1A1PKMSLC1A2MEN1LMNA
SCHEMBL9932771 0.73 ALDH1A1 (0.42) ALDH1A1HTR2CLMNAMAPTKMT2A
SCHEMBL11042794 0.73 CCNE1 (0.41) CCNE1CDK2GSK3BALDH1A1HTR2C
SCHEMBL9712261 0.73 ALDH1A1 (0.41) CCNE1CDK2GSK3BALDH1A1HTR2C
SCHEMBL11563416 0.73 MEN1 (0.50) CCNE1CDK2GSK3BALDH1A1MEN1
SCHEMBL11320576 0.73 MEN1 (0.50) CCNE1CDK2GSK3BALDH1A1MEN1
SCHEMBL31212621 0.72 MGLL (0.39) CCNE1CDK2GSK3BMGLLALDH1A1

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 14 patents. 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-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
EP-3181566-A1 IMIDAZOTRIAZINONE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2017-06-21 EP disclosed
US-20170152265-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-06-01 US disclosed
US-9540380-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-01-10 US disclosed
EP-2619208-B1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2016-11-09 EP disclosed
US-20150191476-A1 Imidazotriazinone Compounds FORUM PHARMACEUTICALS INC. 2015-07-09 US disclosed
EP-2828262-A1 IMIDAZOTRIAZINONE COMPOUNDS Forum Pharmaceuticals Inc. (US) 2015-01-28 EP 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
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
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 (5 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-20170152265-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-20150191476-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.