SCHEMBL17636795

SCHEMBL17636795

Cn1c(=O)[nH]c2nc(Br)n(CC(=O)O)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 6/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 4/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.37
ADORA2B P29275 1/20 0.37
RECQL P46063 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL28094075 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MAPTLMNATSHR
SCHEMBL18990354 0.78 KDM4E (0.67) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL25522516 0.78 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL15519474 0.77 DPP4 (0.40) SMN1; SMN2KDM4EALDH1A1MAPTLMNA
SCHEMBL17626296 0.74 LMNA (0.62) SMN1; SMN2KDM4EALDH1A1LMNATSHR
SCHEMBL1065735 0.70 LMNA (0.59) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL3899540 0.68 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL3177873 0.68 USP2 (0.47) SMN1; SMN2ALDH1A1MAPTLMNATSHR
SCHEMBL556003 0.68 KDM4E (0.55) SMN1; SMN2KDM4EMAPTLMNACYP3A4
SCHEMBL25215893 0.67 ALDH1A1 (0.50) KDM4EALDH1A1MAPTLMNATSHR

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 13 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-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 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-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
US-9926320-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-03-27 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-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
US-20160090386-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-03-31 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 (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-20160090386-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 SMN1; SMN2 4828/4885KDM4E 3779/4885ALDH1A1 1166/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 SMN1; SMN2 4828/4885KDM4E 3779/4885ALDH1A1 1166/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 SMN1; SMN2 4828/4885KDM4E 3779/4885ALDH1A1 1166/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 SMN1; SMN2 4828/4885KDM4E 3779/4885ALDH1A1 1166/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 SMN1; SMN2 4771/4885KDM4E 3291/4885ALDH1A1 1754/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 SMN1; SMN2 4828/4885KDM4E 3779/4885ALDH1A1 1166/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 SMN1; SMN2 4771/4885KDM4E 3291/4885ALDH1A1 1754/4885

“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.