SCHEMBL19607724

SCHEMBL19607724

Cn1c(=O)n(CC(C)(CO)CO)c(=O)c2c1ncn2CC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 4/20 0.44
▸ ADORA2B P29275 3/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TRPA1 O75762 3/20 0.43
▸ PDE4A P27815 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ HIF1A Q16665 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL24611658 0.99 KMT2A (0.49) KMT2ALMNAADORA2BRXFP1TRPA1
SCHEMBL19607817 0.81 KMT2A (0.46) KMT2ALMNAADORA2BRXFP1TRPA1
SCHEMBL18256137 0.80 KMT2A (0.66) KMT2ALMNAADORA2BRXFP1MAPT
SCHEMBL18256065 0.79 KMT2A (0.64) KMT2ALMNAADORA2BRXFP1MAPT
SCHEMBL17682143 0.79 ADORA2B (0.61) LMNAADORA2BRXFP1PDE4ACYP1A2
SCHEMBL18819581 0.79 KMT2A (0.50) KMT2ALMNAADORA2BRXFP1TRPA1
SCHEMBL19607604 0.78 PDE4A (0.46) KMT2ALMNAADORA2BRXFP1TRPA1
SCHEMBL18256060 0.78 KMT2A (0.66) KMT2ALMNAADORA2BRXFP1MAPT
SCHEMBL18819573 0.78 KMT2A (0.47) KMT2ALMNAADORA2BRXFP1TRPA1
SCHEMBL18819563 0.78 KMT2A (0.47) KMT2ALMNAADORA2BRXFP1TRPA1

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 3904/4885LMNA 2616/4885ADORA2B 116/4885

“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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