SCHEMBL10182240

SCHEMBL10182240

O=Cc1cccc(-c2cnn(-c3cncc(F)c3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.36
MKNK1 Q9BUB5 8/20 0.36
CYP11B2 P19099 1/20 0.35
GRM5 P41594 1/20 0.35
ELOVL1 Q9BW60 2/20 0.33
DYRK1B Q9Y463 1/20 0.32
NPC1 O15118 1/20 0.32
SLC6A9 P48067 2/20 0.32
KCNH2 Q12809 1/20 0.32
GRM2 Q14416 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL10182056 0.84 MKNK1 (0.36) GRM4MKNK1GRM5GRM2IRAK4
SCHEMBL15745931 0.82 CYP11B2 (0.39) GRM4MKNK1CYP11B2GRM5ELOVL1
SCHEMBL12410577 0.81 ASIC3 (0.40) GRM4MKNK1CYP11B2GRM5ELOVL1
SCHEMBL12410583 0.81 MKNK1 (0.40) GRM4MKNK1GRM5MKNK2
SCHEMBL12410479 0.80 SMN1; SMN2 (0.40) GRM4MKNK1CYP11B2GRM5NPC1
SCHEMBL12410390 0.80 GRM5 (0.43) GRM4MKNK1CYP11B2GRM5DYRK1B
SCHEMBL18567909 0.79 IRAK4 (0.41) GRM4MKNK1ELOVL1NPC1SLC6A9
SCHEMBL10233513 0.79 GRM2 (0.44) ELOVL1GRM2IRAK4
SCHEMBL3395383 0.79 NPC1 (0.35) GRM4MKNK1CYP11B2GRM5ELOVL1
SCHEMBL12410580 0.79 GRM5 (0.45) GRM4MKNK1CYP11B2GRM5ELOVL1

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
EP-2585451-B1 HETEROCYCLIC COMPOUNDS AS AGENTS FOR PEST CONTROL BAYER IP GMBH (DE) 2017-03-01 EP 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 (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-20120165345-A1 Heterocyclic compounds as pesticides DDT, ACHE, PTMS GRM4 892/4885MKNK1 1426/4885CYP11B2 313/4885

“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.