SCHEMBL19601309

SCHEMBL19601309

COCC1(Cn2c(=O)c3c(ncn3CC3CC3)n(C)c2=O)CCC(C)(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ ADORA2B P29275 5/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ TRPA1 O75762 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CASP1 P29466 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38

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
SCHEMBL17682251 0.90 KMT2A (0.42) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL19601312 0.86 KMT2A (0.50) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL19601303 0.86 ADORA2B (0.57) ADORA2BPDE4ALMNACYP1A2NFKB1
SCHEMBL17682250 0.84 KMT2A (0.52) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL17682285 0.84 KMT2A (0.52) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL17682284 0.84 KMT2A (0.52) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL18819581 0.80 KMT2A (0.50) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL17682211 0.77 KMT2A (0.45) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL18256710 0.77 KMT2A (0.51) KMT2AADORA2BPDE4ALMNAESR1
SCHEMBL18256653 0.75 KMT2A (0.51) KMT2AADORA2BPDE4ALMNAMAPT

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 KMT2A 3904/4885ADORA2B 116/4885PDE4A 9/4885

“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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