SCHEMBL17625975

SCHEMBL17625975

OCCOc1ccc(-c2cs[c]n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
CYP2D6 P10635 6/20 0.40
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP1A2 P05177 3/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
XDH P47989 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATP4A P20648 3/20 0.37
ATP4B P51164 3/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL17626241 0.83 NQO1 (0.48) ALDH1A1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL17626100 0.82 ALDH1A1 (0.42) ALDH1A1RECQLCYP19A1CYP2C9CYP2C19
SCHEMBL679068 0.76 NPC1 (0.50) ALDH1A1CYP19A1MEN1MAPTRAB9A
SCHEMBL17625965 0.74 LMNA (0.43) ALDH1A1MEN1RAB9AKMT2AL3MBTL1
SCHEMBL10515566 0.73 LTA4H (0.46) ALDH1A1CYP19A1MEN1MAPTRAB9A
SCHEMBL6250258 0.72 NPC1 (0.49) ALDH1A1MEN1MAPTRAB9AKMT2A
SCHEMBL17626229 0.72 WDR5 (0.43) CYP1A2MAPTKMT2A
SCHEMBL679285 0.72 ALOX5 (0.43) ALDH1A1CYP1A2MAPTRAB9AGAA
SCHEMBL6247506 0.72 TEAD4 (0.40) ALDH1A1CYP2D6CYP2C9MEN1MAPT
SCHEMBL468030 0.72 MAPT (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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-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
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

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 NR1I2 65/4885ALDH1A1 1166/4885RECQL 1370/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NR1I2 65/4885ALDH1A1 1166/4885RECQL 1370/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NR1I2 65/4885ALDH1A1 1166/4885RECQL 1370/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 NR1I2 103/4885ALDH1A1 1754/4885RECQL 1745/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NR1I2 65/4885ALDH1A1 1166/4885RECQL 1370/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NR1I2 103/4885ALDH1A1 1754/4885RECQL 1745/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NR1I2 65/4885ALDH1A1 1166/4885RECQL 1370/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NR1I2 103/4885ALDH1A1 1754/4885RECQL 1745/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NR1I2 65/4885ALDH1A1 1166/4885RECQL 1370/4885

“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.