SCHEMBL824680

SCHEMBL824680

CN1CCN(CC(=O)Nc2ccc3cc(-c4ccccc4)[nH]c(=O)c3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
TNKS O95271 2/20 0.51
KDR P35968 1/20 0.50
TERT O14746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.48
CYP2C19 P33261 1/20 0.47
MGLL Q99685 1/20 0.47
PDE10A Q9Y233 1/20 0.47
ABCB1 P08183 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP1 P09874 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL824682 0.88 PARP1 (0.56) SMN1; SMN2LMNAKDRALDH1A1RAB9A
SCHEMBL824730 0.81 PDE10A (0.53) TNKSKDRPDE10AMEN1KMT2A
SCHEMBL824677 0.80 PDE10A (0.52) TNKSKDRTERTPDE10AMEN1
SCHEMBL824676 0.80 ALDH1A1 (0.52) SMN1; SMN2LMNATNKSALDH1A1RAB9A
SCHEMBL824674 0.79 CYP2C19 (0.55) SMN1; SMN2TNKSALDH1A1RAB9ACYP2C19
SCHEMBL824750 0.79 PARP1 (0.61) TNKSALDH1A1PDE10APARP1
SCHEMBL824726 0.78 ADORA1 (0.51) SMN1; SMN2ALDH1A1RAB9ACYP2C19PDE10A
SCHEMBL2712131 0.78 PDE10A (0.48) GAATNKSKDRPDE10AMEN1
SCHEMBL2712188 0.78 PDE10A (0.50) GAATNKSKDRPDE10AMEN1
SCHEMBL824936 0.76 MAPT (0.58) SMN1; SMN2LMNAGAAALDH1A1RAB9A

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
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
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-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
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 EP 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 SMN1; SMN2 4189/4885LMNA 4396/4885GAA 4558/4885

“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.