SCHEMBL3569255

SCHEMBL3569255

CN(C)/C=C1/C(=O)NCc2cc(Br)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.45
PARP11 Q9NR21 1/20 0.45
TDP2 O95551 1/20 0.42
KMT2A Q03164 1/20 0.41
METAP1 P53582 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PARP1 P09874 1/20 0.39
DAPK3 O43293 1/20 0.37
NTRK1 P04629 1/20 0.37
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
KDR P35968 1/20 0.36
GRM5 P41594 2/20 0.35

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
SCHEMBL3569257 1.00 PARP10 (0.45) PARP10PARP11TDP2KMT2AMETAP1
SCHEMBL3568043 0.88 PARP10 (0.45) PARP10PARP11TDP2KMT2ASMN1; SMN2
SCHEMBL4788188 0.88 PARP10 (0.45) PARP10PARP11TDP2KMT2ASMN1; SMN2
SCHEMBL3577715 0.88 PARP10 (0.45) PARP10PARP11TDP2KMT2ASMN1; SMN2
SCHEMBL3577712 0.88 PARP10 (0.45) PARP10PARP11TDP2KMT2ASMN1; SMN2
SCHEMBL275805 0.79 PARP10 (0.68) PARP10PARP11TDP2METAP1PARP1
SCHEMBL3567070 0.78 CA12 (0.59) PARP10PARP11KMT2ASMN1; SMN2PARP1
SCHEMBL3567074 0.78 CA12 (0.59) PARP10PARP11KMT2ASMN1; SMN2PARP1
SCHEMBL21328475 0.78 PARP10 (0.43) PARP10PARP11TDP2METAP1SMN1; SMN2
SCHEMBL21328476 0.78 PARP10 (0.43) PARP10PARP11TDP2METAP1SMN1; SMN2

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 PARP10 2511/4885PARP11 1179/4885TDP2 511/4885

“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.