SCHEMBL950850

SCHEMBL950850

CN(C)/C=C/c1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.57
ALK Q9UM73 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CHEK2 O96017 1/20 0.44
USP30 Q70CQ3 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL950851 1.00 GPR119 (0.57) GPR119ALKHRH3CHEK2USP30
SCHEMBL15888739 0.90 GPR119 (0.61) GPR119ALKHRH3CHEK2PDE4A
SCHEMBL951750 0.89 CHEK2 (0.47) GPR119ALKCHEK2USP30PDE4B
SCHEMBL951752 0.89 CHEK2 (0.47) GPR119ALKCHEK2USP30PDE4B
SCHEMBL14481757 0.86 GPR119 (0.57) GPR119ALKHRH3CHEK2
SCHEMBL14481755 0.86 GPR119 (0.57) GPR119ALKHRH3CHEK2
SCHEMBL14087517 0.85 GPR119 (0.67) GPR119ALKHRH3CHEK2PDE4A
SCHEMBL951252 0.83 GPR119 (0.65) GPR119ALKHRH3CHEK2PDE4A
SCHEMBL3283465 0.82 GPR119 (0.64) GPR119ALKHRH3CHEK2
SCHEMBL8089440 0.80 GPR119 (0.61) GPR119ALKHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-01-27 US claimed
EP-2240441-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES Sanofi-Aventis (FR) 2010-10-20 EP claimed
WO-2009080335-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-07-02 WO claimed
EP-2729463-B1 SUBSTITUTED PHENYL COMPOUNDS SANOFI SA (FR) 2015-07-29 EP disclosed
US-8716481-B2 Process for the preparation of 6-substituted-1-(2H)-isoquinolinones SANOFI (FR) 2014-05-06 US disclosed
US-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2240441-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES Sanofi-Aventis (FR) 2010-10-20 EP disclosed
WO-2009080335-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-07-02 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-20110021779-A1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES CYP1B1, CYP1A1, NQO1 GPR119 3335/4885ALK 1710/4885HRH3 1906/4885

“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.