SCHEMBL828033

SCHEMBL828033

CN(C)CCCNc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 3/20 0.49
DRD3 P35462 1/20 0.46
BRD4 O60885 2/20 0.42
ATAD2 Q6PL18 2/20 0.42
RAD52 P43351 3/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
SLC2A1 P11166 1/20 0.41
APOBEC3A P31941 1/20 0.41
RAB9A P51151 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TOP2A P11388 1/20 0.40
CALCA P06881 1/20 0.40
PIK3CD O00329 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL828455 0.87 PIK3CD (0.42) TNKSBRD4RAD52KMT2APOLB
SCHEMBL824925 0.84 TNKS (0.41) TNKSPIK3CDKDM4EMAPT
SCHEMBL10226389 0.83 TNKS (0.43) TNKSPIK3CDKDM4EMAPT
SCHEMBL824686 0.82 PARP1 (0.44) TNKSPIK3CD
SCHEMBL824935 0.81 ITK (0.49) TNKSKMT2AALDH1A1CYP2C19KDM4E
SCHEMBL828302 0.81 BRD4 (0.51) TNKSBRD4KMT2APIK3CDKDM4E
SCHEMBL824750 0.77 PARP1 (0.61) TNKSALDH1A1MAPK1
SCHEMBL9083266 0.77 TNKS (0.41) TNKSNPC1RAB9AALDH1A1CYP2C19
SCHEMBL828198 0.76 TNKS (0.37) TNKSPIK3CDKDM4EMAPT
SCHEMBL5975933 0.76 TNKS (0.47) TNKSKDM4EMAPT

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
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-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 TNKS 4871/4885DRD3 183/4885BRD4 469/4885

“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.