SCHEMBL951749

SCHEMBL951749

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.50
CHEK2 O96017 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4B Q07343 1/20 0.43
USP30 Q70CQ3 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
AR P10275 1/20 0.41
TBK1 Q9UHD2 2/20 0.41
ALK Q9UM73 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
SCHEMBL31270132 0.92 GPR119 (0.50) GPR119CHEK2MEN1ALDH1A1MAPT
SCHEMBL951252 0.87 GPR119 (0.65) GPR119CHEK2ALDH1A1PDE4BAR
SCHEMBL16752619 0.84 AR (0.44) GPR119CHEK2USP30HCRTR1HCRTR2
SCHEMBL951750 0.84 CHEK2 (0.47) GPR119CHEK2MEN1ALDH1A1MAPT
SCHEMBL951752 0.84 CHEK2 (0.47) GPR119CHEK2MEN1ALDH1A1MAPT
SCHEMBL21887529 0.82 GPR119 (0.56) GPR119USP30TBK1ALK
SCHEMBL38660667 0.81 PDE4B (0.47) GPR119CHEK2MEN1ALDH1A1MAPT
SCHEMBL15261682 0.81 CHEK2 (0.49) GPR119CHEK2MEN1ALDH1A1MAPT
SCHEMBL15261683 0.81 CHEK2 (0.49) GPR119CHEK2MEN1ALDH1A1MAPT
SCHEMBL30140095 0.80 GPR119 (0.56) GPR119CHEK2USP30TBK1ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240441-B1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI SA (FR) 2015-06-03 EP claimed
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-2240441-B1 PROCESS FOR THE PREPARATION OF 6-SUBSTITUTED-1-(2H)-ISOQUINOLINONES SANOFI SA (FR) 2015-06-03 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 3335/4885CHEK2 2770/4885MEN1 907/4885

“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.