SCHEMBL1065297

SCHEMBL1065297

Cn1c(=O)c2c(ncn2C(C)(C)C(=O)O)n(C)c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 8/20 0.57
▸ POLB P06746 2/20 0.57
▸ PIK3CD O00329 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ CNR1 P21554 1/20 0.57
▸ ACHE P22303 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ NTSR1 P30989 1/20 0.57
▸ MC3R P41968 1/20 0.57
▸ NOTUM Q6P988 1/20 0.57
▸ SIRT3 Q9NTG7 1/20 0.57
▸ GDA Q9Y2T3 1/20 0.57
▸ NR2E1 Q9Y466 1/20 0.57
▸ LMNA P02545 3/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ RXFP1 Q9HBX9 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ABCC8 Q09428 1/20 0.48

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
SCHEMBL11227138 0.84 ADORA2B (0.60) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL17626243 0.84 SMN1; SMN2 (0.56) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL21363487 0.84 ADORA2B (0.64) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL10112858 0.81 ADORA2B (0.52) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL22398942 0.80 ADORA2B (0.62) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL3776312 0.78 ADORA2B (0.55) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL10892640 0.78 ADORA2B (0.86) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL7020240 0.76 ADORA2B (0.62) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL28813841 0.76 ADORA2B (0.83) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL6659248 0.76 ADORA2B (0.83) ADORA2BPOLBPIK3CDADORA3CNR1

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559495-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2026-02-24 — — US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 — — US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 — — US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 — — US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 — — US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 — — CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 — — US disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 — — US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 — — US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 — — US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 — — US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 — — US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 — — US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 — — US disclosed
US-7671061-B2 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES, INC. (US) 2010-03-02 — — US disclosed
EP-1962855-A2 TRPA1 INHIBITORS FOR TREATING PAIN Hydra Biosciences, Inc. (US) 2008-09-03 — — EP disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 — — US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 — — US disclosed
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence HYDRA BIOSCIENCES (US) 2007-09-20 — — US disclosed
WO-2007073505-A2 TRPA1 INHIBITORS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2007-06-28 — — 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 (7 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-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 ADORA2B 19/4885POLB 1988/4885PIK3CD 1560/4885
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ADORA2B 493/4885POLB 1998/4885PIK3CD 4382/4885
US-20070219222-A1 Inhibit Transient Receptor Potential A1 (TRPA1) activity ; incontinence TRPA1, TRPV1, TRPV2 ADORA2B 65/4885POLB 4470/4885PIK3CD 4639/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ADORA2B 19/4885POLB 1988/4885PIK3CD 1560/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ADORA2B 16/4885POLB 1739/4885PIK3CD 1385/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ADORA2B 19/4885POLB 1988/4885PIK3CD 1560/4885
US-12559495-B2 Purine diones as Wnt pathway modulators WNT1, CTNND1, WNT3A ADORA2B 27/4885POLB 3128/4885PIK3CD 875/4885

“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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