SCHEMBL30237754

SCHEMBL30237754

C[C@H](N)c1nccnc1-c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.42
ADORA1 P30542 10/20 0.42
ADORA3 P0DMS8 4/20 0.42
ADORA2B P29275 3/20 0.42
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDPK1 O15530 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
CYP2A6 P11509 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ADRB2 P07550 1/20 0.33
ECE1 P42892 1/20 0.33
SMPD3 Q9NY59 1/20 0.33

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
SCHEMBL29776129 1.00 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BSLC6A4
SCHEMBL23212719 1.00 ADORA2A (0.42) ADORA2AADORA1ADORA3ADORA2BSLC6A4
SCHEMBL24926667 0.85 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BSLC6A4
SCHEMBL24821844 0.71 SNCA (0.34)
SCHEMBL3838752 0.71 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL29776083 0.69 PDK2 (0.32)
SCHEMBL22498581 0.69 PDK2 (0.32)
SCHEMBL29656827 0.69 PDK2 (0.32)
SCHEMBL22510344 0.69 PDK2 (0.32)
SCHEMBL29659844 0.69 PDK2 (0.32)

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-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides ELANCO ANIMAL HEALTH GMBH (DE) 2026-03-24 US disclosed
US-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 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-12583851-B2 Heteroaryl-substituted pyrazine derivatives as pesticides CBR3, CYCS, CWC15 ADORA2A 3739/4885ADORA1 3418/4885ADORA3 2110/4885
US-20230023326-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES DDT, PRXL2A, CAT ADORA2A 1546/4885ADORA1 1953/4885ADORA3 699/4885

“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.