SCHEMBL21705891

SCHEMBL21705891

CC(C)c1ccnc(CS)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.35
▸ GRIN1 Q05586 5/20 0.35
▸ GRIN2B Q13224 5/20 0.35
▸ JAK2 O60674 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ DAPK3 O43293 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PAK4 O96013 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ RET P07949 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ FLT1 P17948 1/20 0.32
▸ LTK P29376 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
SCHEMBL11994370 0.82 CYP1A2 (0.46) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL5108681 0.80 JAK2 (0.46) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL3507581 0.80 TLR9 (0.38) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL12120617 0.80 RXRA (0.35) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL18542888 0.80 RXRA (0.35) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL13533992 0.78 KDM4E (0.50) RXRAGRIN1GRIN2BALDH1A1LMNA
SCHEMBL20280911 0.77 HRH1 (0.46) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL21201584 0.77 MAPK13 (0.38) RXRAGRIN1GRIN2BJAK2ALDH1A1
SCHEMBL11994362 0.77 RXRA (0.40) RXRAGRIN1GRIN2BALDH1A1CHRNA7
SCHEMBL19822069 0.77 RXRA (0.34) RXRAGRIN1GRIN2BJAK2ALDH1A1

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 RXRA 1391/4885GRIN1 1033/4885GRIN2B 689/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 RXRA 1391/4885GRIN1 1033/4885GRIN2B 689/4885

“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.

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