SCHEMBL3568043

SCHEMBL3568043

CN(C)C=C1C(=O)NCc2ccc(Br)cc21.CN(C)C=C1C(=O)NCc2ccc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.45
PARP1 P09874 1/20 0.45
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TDP2 O95551 1/20 0.39
PARP11 Q9NR21 1/20 0.39
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
NTRK2 Q16620 2/20 0.38
TYRO3 Q06418 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
FYN P06241 1/20 0.38
CMA1 P23946 1/20 0.37
AHR P35869 1/20 0.37
KDR P35968 3/20 0.37
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
MET P08581 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL3577715 1.00 PARP10 (0.45) PARP10PARP1KMT2ASMN1; SMN2TDP2
SCHEMBL4788188 1.00 PARP10 (0.45) PARP10PARP1KMT2ASMN1; SMN2TDP2
SCHEMBL3577712 1.00 PARP10 (0.45) PARP10PARP1KMT2ASMN1; SMN2TDP2
SCHEMBL3569257 0.88 PARP10 (0.45) PARP10PARP1KMT2ASMN1; SMN2TDP2
SCHEMBL3569255 0.88 PARP10 (0.45) PARP10PARP1KMT2ASMN1; SMN2TDP2
SCHEMBL14472640 0.82 SMN1; SMN2 (0.39) PARP1KMT2ASMN1; SMN2CLK4DYRK1B
SCHEMBL391991 0.79 PARP10 (0.68) PARP10PARP1TDP2PARP11CLK4
SCHEMBL29506974 0.79 PARP10 (0.68) PARP10PARP1TDP2PARP11CLK4
SCHEMBL3567074 0.78 CA12 (0.59) PARP10PARP1KMT2ASMN1; SMN2PARP11
SCHEMBL3567070 0.78 CA12 (0.59) PARP10PARP1KMT2ASMN1; SMN2PARP11

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 2 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
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

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 2511/4885PARP1 1048/4885KMT2A 1053/4885

“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.