SCHEMBL19601337

SCHEMBL19601337

CC(C)Cn1cnc2c1c(=O)n(C[C@H]1CC[C@](C)(O)CC1)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KMT2A Q03164 1/20 0.46
▸ TRPA1 O75762 3/20 0.45
▸ POLB P06746 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ PDE4A P27815 2/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ ADORA2B P29275 1/20 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

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
SCHEMBL19601314 1.00 LMNA (0.48) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL19601332 1.00 LMNA (0.48) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL17682250 0.89 KMT2A (0.52) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL17682284 0.89 KMT2A (0.52) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL17682285 0.89 KMT2A (0.52) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL17682281 0.88 LMNA (0.45) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL17682282 0.88 LMNA (0.45) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL17682181 0.88 LMNA (0.45) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL18819581 0.88 KMT2A (0.50) LMNASMN1; SMN2KMT2ATRPA1POLB
SCHEMBL17682178 0.86 SMN1; SMN2 (0.50) LMNASMN1; SMN2KMT2ATRPA1POLB

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 LMNA 2616/4885SMN1; SMN2 1807/4885KMT2A 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.

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