SCHEMBL12410451

SCHEMBL12410451

FC(F)CNc1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1B Q9Y463 2/20 0.47
MKNK1 Q9BUB5 11/20 0.40
MKNK2 Q9HBH9 2/20 0.38
CYP2A6 P11509 1/20 0.37
RIPK2 O43353 3/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GRM5 P41594 1/20 0.35
GRM4 Q14833 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
SCHEMBL12410489 0.79 MKNK1 (0.40) MKNK1CYP2A6RIPK2ADORA2AADORA2B
SCHEMBL12410569 0.77 CYP2A6 (0.42) MKNK1MKNK2CYP2A6RIPK2ADORA2A
SCHEMBL10182269 0.77 MKNK1 (0.41) MKNK1MKNK2CYP2A6RIPK2ADORA2A
SCHEMBL12410544 0.76 CYP1A2 (0.46) MKNK1RIPK2ADORA2AADORA1
SCHEMBL253332 0.76 SCN9A (0.44) MKNK1CYP2A6RIPK2ADORA2AADORA2B
SCHEMBL15935825 0.76 MKNK1 (0.40) MKNK1MKNK2CYP2A6RIPK2ADORA2A
SCHEMBL12410572 0.76 RIPK2 (0.40) MKNK1RIPK2
SCHEMBL12410410 0.76 MAP3K5 (0.42) MKNK1RIPK2GRM5
SCHEMBL12410406 0.74 CYP2A6 (0.42) MKNK1MKNK2CYP2A6RIPK2ADORA2A
SCHEMBL12410399 0.74 MKNK1 (0.44) MKNK1MKNK2CYP2A6RIPK2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066518-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
EP-2488030-B1 1-(PYRID-3-YL)-PYRAZOLES AND 1-(PYRIMID-5-YL)-PYRAZOLES AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2015-01-07 EP disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20140221362-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2014-08-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
US-20110166143-A1 Heterocyclic Compounds as Pesticides BAYER CROPSCIENCE AG (DE) 2011-07-07 US disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 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 (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-20140221362-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE DYRK1B 4560/4885MKNK1 2220/4885MKNK2 2110/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE DYRK1B 4560/4885MKNK1 2220/4885MKNK2 2110/4885

“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.