SCHEMBL11355557

SCHEMBL11355557

Cn1cnc2c1c(=O)n(CCCI)c(=O)n2C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 0.67
▸ TNF P01375 3/20 0.67
▸ ACHE P22303 2/20 0.67
▸ PDE4A P27815 2/20 0.67
▸ PDE4B Q07343 2/20 0.67
▸ PDE4C Q08493 2/20 0.67
▸ PDE4D Q08499 2/20 0.67
▸ USP2 O75604 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ NFKB1 P19838 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ CHIT1 Q13231 1/20 0.64
▸ CHIA Q9BZP6 1/20 0.64
▸ GLA P06280 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ ADORA2A P29274 2/20 0.59

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
SCHEMBL11754530 0.91 ADORA2B (0.69) ADORA2BTNFACHEPDE4APDE4B
Bisdionin C SCHEMBL10018600 0.91 CHIT1 (0.75) ADORA2BTNFACHEPDE4APDE4B
Bisdionin D SCHEMBL16120988 0.91 ADORA2B (0.79) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL16120981 0.89 ADORA2B (0.77) ADORA2BTNFACHEPDE4APDE4B
Bisdionin B SCHEMBL29896692 0.88 ADORA2B (0.74) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL516018 0.87 PDE4A (0.78) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL3523033 0.87 ADORA2B (0.69) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL7384278 0.86 ADORA2B (0.68) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL9293614 0.85 ADORA2B (0.71) ADORA2BTNFACHEPDE4APDE4B
SCHEMBL11300380 0.85 ADORA2B (0.71) ADORA2BTNFACHEPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56040685-A — — None — — JP disclosed
JP-55028902-A — — None — — JP disclosed
US-10278973-B2 Hydroxyl purine compounds and use thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2019-05-07 — — US disclosed
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
US-20180140607-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF Guangdong Raynovent Biotech Co., Ltd. (CN) 2018-05-24 — — US disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 — — EP disclosed
EP-3299371-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-28 — — EP disclosed
WO-2016184312-A1 HYDROXYL PURINE COMPOUNDS AND USE THEREOF 南京明德新药研发股份有限公司 2016-11-24 — — WO disclosed
JP-S5640685-A PREPARATION OF THEOBROMINE DERIVATIVE MARUKO SEIYAKU KK 1981-04-16 — — JP disclosed
JP-S5528902-A PREPARATION OF XANTHINE DERIVATIVE GRELAN PHARMACEUT CO LTD 1980-02-29 — — JP disclosed
US-4060618-A Quaternary xanthinylalkyl nortropine DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-11-29 — — 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 ADORA2B 89/4885TNF 103/4885ACHE 872/4885
US-10278973-B2 Hydroxyl purine compounds and use thereof PNP, PDE7A, PDE2A ADORA2B 89/4885TNF 103/4885ACHE 872/4885

“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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