SCHEMBL20205787

SCHEMBL20205787

CC(Cn1cnc2c1c(=O)n(CCC1C[C@@H](C)O[C@H](C)C1)c(=O)n2C)C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 2/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL18256655 0.88 SMN1; SMN2 (0.46) LMNASMN1; SMN2KMT2APOLBHIF1A
SCHEMBL18256649 0.83 KMT2A (0.50) LMNAKMT2APOLBHIF1ATRPA1
SCHEMBL18256673 0.80 TRPA1 (0.47) KMT2ATRPA1
SCHEMBL18256674 0.80 TRPA1 (0.47) KMT2ATRPA1
SCHEMBL18256591 0.80 ADORA2B (0.53) LMNASMN1; SMN2POLBRXFP1CYP1A2
SCHEMBL18256701 0.80 KMT2A (0.43) LMNAKMT2APOLBHIF1ATRPA1
SCHEMBL20205776 0.77 LMNA (0.43) LMNASMN1; SMN2KMT2APOLBHIF1A
SCHEMBL20185596 0.71 ADORA2B (0.50) LMNASMN1; SMN2POLBRXFP1CYP1A2
SCHEMBL17682178 0.68 SMN1; SMN2 (0.50) LMNASMN1; SMN2KMT2APOLBHIF1A
SCHEMBL11611771 0.66 LMNA (0.60) LMNASMN1; SMN2POLBESR1CYP1A2

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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-31 — — 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-20180148451-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A LMNA 2283/4885SMN1; SMN2 1801/4885KMT2A 3573/4885

“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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