SCHEMBL824737

SCHEMBL824737

CCOC(=O)Nc1ccc2cc(-c3ccccc3N3CCOCC3)[nH]c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 3/20 0.49
LMNA P02545 6/20 0.46
NR1I2 O75469 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM1 P11229 1/20 0.46
PDE4D Q08499 1/20 0.46
KCNH2 Q12809 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 4/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL2711139 0.88 APAF1 (0.46) LMNACYP3A4GAAMAPK1SMN1; SMN2
SCHEMBL824611 0.79 KIT (0.42) LMNACYP3A4GAAMAPK1SMN1; SMN2
SCHEMBL824612 0.79 KCNQ2 (0.54) LMNACYP3A4GAAMAPK1SMN1; SMN2
SCHEMBL3542844 0.78 IRAK4 (0.47) GAAMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3542840 0.78 IRAK4 (0.47) GAAMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL824819 0.77 KIT (0.45) LMNACYP3A4GAAMAPK1MEN1
SCHEMBL828014 0.76 APAF1 (0.40) CYP3A4GAASMN1; SMN2MAPTAPAF1
SCHEMBL824947 0.76 TDO2 (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL824716 0.75 APAF1 (0.49) LMNAGAASMN1; SMN2MEN1KMT2A
SCHEMBL824701 0.75 APAF1 (0.49) GAAMEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 NR1I3 5/4885LMNA 4396/4885NR1I2 15/4885

“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.