SCHEMBL10182009

SCHEMBL10182009

CCS(=O)(=O)NC(=O)c1cccc(-c2cnn(-c3cncnc3)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.42
CLK2 P49760 3/20 0.39
LRRK2 Q5S007 3/20 0.39
ABL1 P00519 1/20 0.37
MKNK1 Q9BUB5 3/20 0.36
KAT6A Q92794 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CNR2 P34972 2/20 0.34
P2RY12 Q9H244 1/20 0.34

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
SCHEMBL10231809 0.90 RIPK2 (0.42) IRAK4CLK2LRRK2ABL1MKNK1
SCHEMBL10182229 0.89 IRAK4 (0.43) IRAK4CLK2LRRK2ABL1KAT6A
SCHEMBL15747006 0.88 IRAK4 (0.40) IRAK4CLK2LRRK2ABL1MKNK1
SCHEMBL10231655 0.88 P4HTM (0.41) IRAK4CLK2LRRK2ABL1MKNK1
SCHEMBL10233521 0.87 IRAK4 (0.39) IRAK4CLK2LRRK2MKNK1PTGS1
SCHEMBL10183282 0.87 IRAK4 (0.41) IRAK4CLK2LRRK2ABL1MKNK1
SCHEMBL10233599 0.84 PTGS2 (0.54) IRAK4KAT6APTGS1PTGS2
SCHEMBL10233520 0.84 CLK2 (0.41) IRAK4CLK2LRRK2ABL1CNR2
SCHEMBL10233351 0.79 RIPK2 (0.43) IRAK4CLK2LRRK2ABL1MKNK1
SCHEMBL10233625 0.79 IRAK4 (0.46) IRAK4CLK2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-9044015-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20140148471-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-05-29 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 US disclosed
US-20120165345-A1 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2012-06-28 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 (2 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-20140148471-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, PTMS IRAK4 4536/4885CLK2 2541/4885LRRK2 610/4885
US-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS IRAK4 4536/4885CLK2 2541/4885LRRK2 610/4885

“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.