SCHEMBL12410472

SCHEMBL12410472

CS(=O)(=O)c1cccc(-c2cnn(-c3cccnc3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.44
PTGS2 P35354 4/20 0.41
MKNK1 Q9BUB5 5/20 0.41
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
CYP2A6 P11509 2/20 0.40
GRM4 Q14833 2/20 0.40
RIPK2 O43353 2/20 0.39
GRM5 P41594 1/20 0.38
MTOR P42345 1/20 0.36

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
SCHEMBL252173 0.88 CA1 (0.40) MELKPTGS2MKNK1ADORA2AADORA2B
SCHEMBL252527 0.83 RIPK2 (0.41) MELKMKNK1ADORA2AADORA2BADORA1
SCHEMBL253332 0.82 SCN9A (0.44) MELKMKNK1ADORA2AADORA2BADORA1
SCHEMBL10182300 0.81 RIPK2 (0.40) MKNK1ADORA2AADORA2BADORA1GRM4
SCHEMBL10233351 0.79 RIPK2 (0.43) MELKMKNK1ADORA2AADORA2BADORA1
SCHEMBL10182269 0.78 MKNK1 (0.41) MELKMKNK1ADORA2AADORA2BADORA1
SCHEMBL12410406 0.78 CYP2A6 (0.42) MKNK1ADORA2AADORA2BADORA1CYP2A6
SCHEMBL12410399 0.78 MKNK1 (0.44) MKNK1ADORA2AADORA2BADORA1CYP2A6
SCHEMBL251938 0.78 ASIC3 (0.42) MKNK1ADORA2AADORA2BADORA1CYP2A6
SCHEMBL12410569 0.78 CYP2A6 (0.42) MKNK1ADORA2AADORA2BADORA1CYP2A6

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 6 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
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

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 MELK 2620/4885PTGS2 2097/4885MKNK1 2220/4885
US-20110166143-A1 Heterocyclic Compounds as Pesticides DDT, ACHE, BCHE MELK 2620/4885PTGS2 2097/4885MKNK1 2220/4885

“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.