SCHEMBL3048189

SCHEMBL3048189

O=C1NCc2c(-c3cccs3)ccc(I)c21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.62
DYRK1A Q13627 2/20 0.62
CLK4 Q9HAZ1 2/20 0.62
LTK P29376 1/20 0.62
MST1R Q04912 1/20 0.62
PARP1 P09874 1/20 0.36
MAP3K9 P80192 2/20 0.35
MAP3K11 Q16584 2/20 0.35
SLC6A11 P48066 1/20 0.34
PIM1 P11309 2/20 0.33
CSNK1A1 P48729 1/20 0.33
ROCK1 Q13464 1/20 0.33
LRRK2 Q5S007 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
TYMP P19971 1/20 0.33
CHEK1 O14757 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
WEE1 P30291 1/20 0.32
CLK1 P49759 1/20 0.32

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
SCHEMBL3047923 0.83 CDK5 (0.62) CDK5DYRK1ACLK4LTKMST1R
SCHEMBL3039949 0.76 MAP3K9 (0.50) CDK5DYRK1ACLK4MAP3K9MAP3K11
SCHEMBL18170811 0.73 LTK (0.47) CDK5DYRK1ACLK4LTKMST1R
SCHEMBL3034051 0.71 TDP2 (0.37) CDK5DYRK1ACLK4MAP3K9MAP3K11
SCHEMBL3835838 0.69 TDP2 (0.42) PARP1MAP3K9MAP3K11CHEK1WEE1
SCHEMBL3048539 0.68 CLK1 (0.43) CDK5DYRK1ACLK4PARP1MAP3K9
SCHEMBL3039244 0.68 PARP1 (0.36) CDK5DYRK1ACLK4PARP1MAP3K9
SCHEMBL3046642 0.68 MAP3K9 (0.36) CDK5DYRK1ACLK4PARP1MAP3K9
SCHEMBL3040957 0.68 ROCK2 (0.37) CDK5DYRK1ACLK4PARP1MAP3K9
SCHEMBL27720804 0.68 LTK (0.41) CDK5DYRK1ACLK4LTKMST1R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 CDK5 760/4885DYRK1A 3145/4885CLK4 943/4885

“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.