SCHEMBL20182681

SCHEMBL20182681

Cn1c(=O)n(CCCn2ccnc2)c(=O)c2c1ncn2CC1CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2B6 P20813 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ 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
▸ RXFP1 Q9HBX9 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ CHIT1 Q13231 1/20 0.40
▸ CHIA Q9BZP6 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ ADORA2B P29275 2/20 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
SCHEMBL18255891 0.80 CHIT1 (0.60) LMNACYP1A2NFKB1ACHEPDE4A
SCHEMBL18256065 0.78 KMT2A (0.64) KMT2ALMNAMAPTRXFP1ADORA2B
SCHEMBL20182582 0.78 POLB (0.44) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL19608042 0.77 LMNA (0.48) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL18256137 0.77 KMT2A (0.66) KMT2ALMNAMAPTRXFP1POLB
SCHEMBL20976273 0.77 POLB (0.44) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL20182588 0.76 KMT2A (0.47) KMT2ALMNAMAPTRXFP1POLB
SCHEMBL19607604 0.75 PDE4A (0.46) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL18256053 0.75 TRPA1 (0.44) KMT2ALMNACYP1A2NFKB1ACHE
SCHEMBL24611658 0.75 KMT2A (0.49) KMT2ALMNACYP1A2NFKB1ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 — — US disclosed
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 — — 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 (2 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-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF PNP, PDE7A, PDE2A CYP2B6 469/4885KMT2A 3576/4885LMNA 2317/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A CYP2B6 469/4885KMT2A 3576/4885LMNA 2317/4885

“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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