SCHEMBL17626115

SCHEMBL17626115

CC(C)(C)C(=O)Nc1ccc(-c2cs[c]n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ TP53 P04637 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL17626004 0.84 SMN1; SMN2 (0.55) NPC1RAB9ALMNAPKML3MBTL1
SCHEMBL17626061 0.81 KIF11 (0.47) NPC1RAB9ALMNAPKMMAPT
SCHEMBL17626108 0.75 KIF11 (0.40) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL19626490 0.74 RAB9A (0.67) NPC1RAB9ALMNAPKML3MBTL1
SCHEMBL7733701 0.74 L3MBTL1 (1.00) NPC1RAB9ALMNAPKML3MBTL1
SCHEMBL11180415 0.73 L3MBTL1 (0.68) NPC1RAB9ALMNAPKML3MBTL1
SCHEMBL19625312 0.73 RAB9A (0.59) NPC1RAB9ALMNAPKML3MBTL1
SCHEMBL679894 0.72 KIF11 (0.47) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL17626008 0.70 KDM4E (0.51) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL29037529 0.70 L3MBTL1 (0.73) NPC1RAB9ALMNAPKML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NPC1 2489/4885RAB9A 3162/4885LMNA 2300/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NPC1 2489/4885RAB9A 3162/4885LMNA 2300/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NPC1 2489/4885RAB9A 3162/4885LMNA 2300/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 NPC1 2768/4885RAB9A 3313/4885LMNA 2103/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NPC1 2489/4885RAB9A 3162/4885LMNA 2300/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NPC1 2768/4885RAB9A 3313/4885LMNA 2103/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NPC1 2489/4885RAB9A 3162/4885LMNA 2300/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NPC1 2768/4885RAB9A 3313/4885LMNA 2103/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NPC1 2489/4885RAB9A 3162/4885LMNA 2300/4885

“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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