SCHEMBL3116806

SCHEMBL3116806

Cn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 1.00
▸ ADORA3 P0DMS8 5/20 1.00
▸ PDE4A P27815 7/20 0.68
▸ PDE4B Q07343 7/20 0.68
▸ PDE4C Q08493 7/20 0.68
▸ PDE4D Q08499 7/20 0.68
▸ ADORA2A P29274 6/20 0.68
▸ CHIT1 Q13231 1/20 0.60
▸ CHIA Q9BZP6 1/20 0.60
▸ CFTR P13569 1/20 0.57
▸ ATAD2 Q6PL18 1/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ PIK3CD O00329 1/20 0.52
▸ ALPL P05186 1/20 0.52
▸ TMIGD3 P0DMS9 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HIF1A Q16665 1/20 0.52

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
SCHEMBL31061426 0.92 ADORA2B (1.00) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL3108328 0.88 ADORA2B (0.78) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL7453870 0.86 ADORA2B (1.00) ADORA2BADORA3PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8656191 0.85 ADORA2B (0.97) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL27652257 0.81 PDE4A (0.79) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL7109948 0.81 PDE4A (1.00) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL7604273 0.81 ADORA2B (0.72) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL21381258 0.80 PDE4A (0.92) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL16058829 0.80 PDE4A (0.77) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL7603135 0.80 ADORA2B (0.70) ADORA2BADORA3PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315438-A Transdermal drug delivery system 爱肤柔生命科学公司 2020-06-19 — — CN claimed
CN-113332292-A 6, 7-dihydro-5H-pyrazolo [5,1-b ] [1,3] oxazine-2-carboxamide compounds 辉瑞公司 2021-09-03 — — CN disclosed
CN-108699080-B 6, 7-dihydro-5H-pyrazolo [5,1-b ] [1,3] oxazine-2-carboxamide compounds 辉瑞公司 2021-05-14 — — CN disclosed
CN-107595793-B Self-regulated release of active pharmaceutical ingredients 阿库拉制药公司 2020-11-13 — — CN disclosed
CN-107406445-B Cyclopropylbenzofuranyl pyridopyrazine diones 辉瑞公司 2019-12-24 — — CN disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 — — EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — WO 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2B 111/4885ADORA3 61/4885PDE4A 315/4885

“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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