SCHEMBL21705945

SCHEMBL21705945

CCCc1cnc(OC)c(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
PIK3CA P42336 5/20 0.36
KCNH2 Q12809 1/20 0.36
AR P10275 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM5A P29375 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PIK3CD O00329 5/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IDH1 O75874 2/20 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
SCHEMBL9846240 0.87 GAA (0.41) GAAPIK3CAKCNH2KDM4EALDH1A1
SCHEMBL7219768 0.78 HPGD (0.36) GAAARKDM4EALDH1A1HPGD
SCHEMBL17253973 0.76 FFAR1 (0.36) ALDH1A1NPC1RAB9A
SCHEMBL13548305 0.75 CYP3A4 (0.40) PIK3CANPC1RAB9A
SCHEMBL15046199 0.74 GAA (0.44) GAAPIK3CAARKDM4EALDH1A1
SCHEMBL17776991 0.73 KDM4E (0.40) GAAKDM4EHPGDL3MBTL1AAK1
SCHEMBL25117929 0.73 LMNA (0.42) GAAPIK3CAKCNH2HPGDL3MBTL1
SCHEMBL20670341 0.73 GAA (0.40) GAAPIK3CAKDM4EALDH1A1HPGD
SCHEMBL18839637 0.73 KDM4E (0.49) GAAPIK3CAKDM4EALDH1A1HPGD
SCHEMBL21412856 0.73 GAA (0.40) GAAPIK3CA

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
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US disclosed
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 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-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES DDT, CYP4X1, CYP4Z1 GAA 1460/4885PIK3CA 1891/4885KCNH2 148/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 GAA 1460/4885PIK3CA 1891/4885KCNH2 148/4885

“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.