SCHEMBL20146314

SCHEMBL20146314

c1ccc2c(-c3ccc4sc5ccccc5c4c3)ncnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
MTOR P42345 2/20 0.44
PIK3CG P48736 2/20 0.44
CAMKK1 Q8N5S9 2/20 0.43
CAMKK2 Q96RR4 2/20 0.43
GRM4 Q14833 1/20 0.43
GPR3 P46089 1/20 0.42
AAK1 Q2M2I8 1/20 0.40
LIMK1 P53667 3/20 0.39
MAP4K4 O95819 3/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39

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
SCHEMBL19781959 0.91 ADORA2A (0.56) ADORA2APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL24677324 0.86 ADORA2A (0.41) ADORA2APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL23259465 0.80 ADORA2A (0.67) ADORA2APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL25461995 0.79 ADORA2A (0.45) ADORA2APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL22377492 0.78 GPR3 (0.48) GPR3LIMK1CYP1A2ALDH1A1MAPT
SCHEMBL25462023 0.77 ADORA2A (0.45) ADORA2APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL18667997 0.77 ADORA2A (0.42) ADORA2AGPR3CYP1A2ALDH1A1MAPT
SCHEMBL18630446 0.77 GPR3 (0.40) ADORA2AGPR3CYP1A2ALDH1A1MAPT
SCHEMBL15860217 0.77 KDM4E (0.56) ADORA2AGPR3CYP1A2ALDH1A1MAPT
SCHEMBL22376147 0.76 GPR3 (0.47) GPR3LIMK1CYP1A2ALDH1A1MAPT

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-20230363276-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-11-09 US disclosed
EP-3321246-A2 DOUBLE SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2018-05-16 EP 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 (1 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-20230363276-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, ODC1 ADORA2A 2339/4885PIK3CD 2444/4885PIK3CA 3744/4885

“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.