SCHEMBL19601318

SCHEMBL19601318

Cn1cnc2c1c(=O)n(Cc1ccc(C(C)(C)O)cn1)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.52
MAPK1 P28482 2/20 0.50
KMT2A Q03164 1/20 0.49
GLA P06280 1/20 0.49
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
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

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
SCHEMBL17682255 0.89 ADORA2B (0.48) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL19601319 0.85 MAPK1 (0.58) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL19601325 0.84 KMT2A (0.45) ADORA2BKMT2ABLMLMNACYP1A2
SCHEMBL19601317 0.83 ADORA2B (0.53) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL30025359 0.82 ADORA2B (0.60) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL17682294 0.82 ADORA2B (0.60) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL19601323 0.79 MAPK1 (0.69) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL10955871 0.79 ABCC8 (0.64) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL19601321 0.78 MAPK1 (0.55) ADORA2BMAPK1KMT2AGLABLM
SCHEMBL19601320 0.78 ADORA2B (0.52) ADORA2BMAPK1KMT2AGLABLM

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 116/4885MAPK1 1057/4885KMT2A 3904/4885

“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.