SCHEMBL20205697

SCHEMBL20205697

Cn1c(=O)n(CCCC2(C)COC2)c(=O)c2c1ncn2CC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PMP22 Q01453 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ AKR1B1 P15121 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ ADORA2B P29275 4/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39

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
SCHEMBL18256710 0.85 KMT2A (0.51) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL18256639 0.82 AKR1B1 (0.58) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL19608042 0.79 LMNA (0.48) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL18256060 0.77 KMT2A (0.66) KMT2ALMNAMAPTPOLBADORA2B
SCHEMBL18819581 0.76 KMT2A (0.50) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL18256041 0.76 TRPA1 (0.44) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL18256137 0.75 KMT2A (0.66) KMT2ALMNAMAPTPOLBADORA2B
SCHEMBL20976273 0.74 POLB (0.44) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL20182681 0.74 CYP2B6 (0.46) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL20205776 0.74 LMNA (0.43) KMT2ALMNAPOLBHIF1ARXFP1

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 KMT2A 3573/4885LMNA 2283/4885CYP1A2 99/4885

“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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