SCHEMBL17626141

SCHEMBL17626141

COC(=O)c1ccc(-c2cs[c]n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ SETD7 Q8WTS6 1/20 0.41

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
SCHEMBL17626008 0.80 KDM4E (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL17626004 0.75 SMN1; SMN2 (0.55) ALDH1A1MAPTCA1CA2KDM4E
SCHEMBL3193132 0.73 ALDH1A1 (0.49) ALDH1A1MAPTCA1CA2KDM4E
SCHEMBL28750524 0.73 MAPT (0.58) ALDH1A1MAPTKDM4EMEN1KMT2A
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.73 CA1 (0.70) ALDH1A1MAPTCA1CA2KDM4E
SCHEMBL19387238 0.73 CA1 (0.70) ALDH1A1MAPTCA1CA2KDM4E
SCHEMBL1916309 0.72 KMT2A (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL30079151 0.72 CA1 (0.57) ALDH1A1MAPTCA1CA2KDM4E
SCHEMBL5350275 0.72 RAB9A (0.68) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6644479 0.72 ALDH1A1 (0.51) ALDH1A1MAPTCA1CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102558167-A Thiazolidine derivant with GK and PPAR double excitation activity INST MATERIA MEDICA CAMS 2012-07-11 — — CN claimed
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-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 — — US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 — — US disclosed
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 — — EP disclosed
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 — — US disclosed
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 — — CN disclosed
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-06-21 — — US disclosed
US-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 — — US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 — — US disclosed
US-20160090386-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-31 — — US disclosed
EP-2999699-A1 PURINE DIONES AS WNT PATHWAY MODULATORS Agency For Science, Technology And Research (SG) 2016-03-30 — — EP disclosed
CN-105452248-A Purine diones as WNT pathway modulators AGENCY SCIENCE TECH & RES 2016-03-30 — — CN disclosed
CN-102558167-A Thiazolidine derivant with GK and PPAR double excitation activity INST MATERIA MEDICA CAMS 2012-07-11 — — CN 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 (9 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-20160090386-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885CA1 4848/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885CA1 4848/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885CA1 4848/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 ALDH1A1 1754/4885MAPT 4782/4885CA1 4854/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885CA1 4848/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ALDH1A1 1754/4885MAPT 4782/4885CA1 4854/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885CA1 4848/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ALDH1A1 1754/4885MAPT 4782/4885CA1 4854/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885MAPT 4783/4885CA1 4848/4885

“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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