SCHEMBL951752

SCHEMBL951752

CN(C)C=Cc1cc(OC2CCCN(C(=O)OC(C)(C)C)C2)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.47
GPR119 Q8TDV5 5/20 0.45
USP30 Q70CQ3 2/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4B Q07343 1/20 0.39
TBK1 Q9UHD2 2/20 0.38
ALK Q9UM73 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37

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
SCHEMBL951750 1.00 CHEK2 (0.47) CHEK2GPR119USP30MEN1ALDH1A1
SCHEMBL950851 0.89 GPR119 (0.57) CHEK2GPR119USP30PDE4BALK
SCHEMBL950850 0.89 GPR119 (0.57) CHEK2GPR119USP30PDE4BALK
SCHEMBL951749 0.84 GPR119 (0.50) CHEK2GPR119USP30MEN1ALDH1A1
SCHEMBL31270132 0.82 GPR119 (0.50) CHEK2GPR119USP30MEN1ALDH1A1
SCHEMBL15888739 0.79 GPR119 (0.61) CHEK2GPR119ALDH1A1PDE4BTBK1
SCHEMBL14481755 0.78 GPR119 (0.57) CHEK2GPR119ALDH1A1ALK
SCHEMBL14481757 0.78 GPR119 (0.57) CHEK2GPR119ALDH1A1ALK
SCHEMBL21887529 0.77 GPR119 (0.56) GPR119USP30TBK1ALK
SCHEMBL30140249 0.77 GPR119 (0.49) GPR119USP30TBK1ALK

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 7 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
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 CHEK2 2770/4885GPR119 3335/4885USP30 3268/4885

“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.