SCHEMBL828302

SCHEMBL828302

O=c1[nH]c(-c2ccccc2)cc2ccc(NCCc3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
PIK3CD O00329 1/20 0.48
HDAC1 Q13547 2/20 0.46
TNKS O95271 2/20 0.43
GPR84 Q9NQS5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CDC25B P30305 1/20 0.41
PARP1 P09874 1/20 0.40
ELANE P08246 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL824686 0.86 PARP1 (0.44) PIK3CDTNKSCDC25BPARP1ADORA2A
SCHEMBL824925 0.86 TNKS (0.41) PIK3CDTNKSKDM4EMAPTCDC25B
SCHEMBL10226389 0.85 TNKS (0.43) PIK3CDTNKSKDM4EMAPTCDC25B
SCHEMBL828455 0.84 PIK3CD (0.42) BRD4PIK3CDTNKSMEN1KMT2A
SCHEMBL824935 0.83 ITK (0.49) TNKSL3MBTL1MEN1KMT2AKDM4E
SCHEMBL828033 0.81 TNKS (0.49) BRD4PIK3CDTNKSKMT2AKDM4E
SCHEMBL9083266 0.81 TNKS (0.41) TNKSKDM4EMAPTCDC25BPARP1
SCHEMBL828198 0.80 TNKS (0.37) PIK3CDTNKSKDM4EMAPTPARP1
Trifluoroacetic Acid SCHEMBL828226 0.79 PARP1 (0.38) TNKSKDM4EPARP1
SCHEMBL828083 0.78 RECQL (0.38) PIK3CDTNKSMEN1KMT2AKDM4E

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 BRD4 469/4885PIK3CD 3356/4885HDAC1 380/4885

“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.