SCHEMBL19601320

SCHEMBL19601320

Cn1cnc2c1c(=O)n(Cc1csc(C(C)(C)O)n1)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.52
GLA P06280 1/20 0.49
BLM P54132 1/20 0.49
TNF P01375 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
ACHE P22303 1/20 0.48
PDE4A P27815 1/20 0.48
PMP22 Q01453 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPK1 P28482 2/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL17682171 0.89 ADORA2B (0.48) ADORA2BGLABLMTNFUSP2
SCHEMBL17682172 0.82 ADORA2B (0.58) ADORA2BGLABLMTNFUSP2
SCHEMBL19601326 0.81 ADORA2B (0.50) ADORA2BGLABLMTNFUSP2
SCHEMBL19601317 0.79 ADORA2B (0.53) ADORA2BGLABLMTNFUSP2
SCHEMBL19601318 0.78 ADORA2B (0.52) ADORA2BGLABLMTNFUSP2
SCHEMBL19601319 0.76 MAPK1 (0.58) ADORA2BGLABLMTNFUSP2
SCHEMBL19601324 0.75 TNF (0.49) ADORA2BGLABLMTNFUSP2
SCHEMBL17682263 0.74 ADORA2B (0.47) ADORA2BGLABLMTNFUSP2
SCHEMBL18255920 0.74 ADORA2B (0.53) ADORA2BGLABLMTNFUSP2
SCHEMBL19601321 0.73 MAPK1 (0.55) ADORA2BGLABLMTNFUSP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 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 (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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A ADORA2B 116/4885GLA 1003/4885BLM 1349/4885

“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.