SCHEMBL17625980

SCHEMBL17625980

CCOc1ccc(-c2n[c]sc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LTA4H P09960 1/20 0.45
TTK P33981 1/20 0.45
CACNA2D1 P54289 2/20 0.44
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RELA Q04206 1/20 0.41
NQO1 P15559 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL330399 0.80 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL17626024 0.80 MEN1 (0.47) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL8542812 0.78 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL4720883 0.76 TTK (0.40) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL4720881 0.76 SQOR (0.39) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL18175105 0.75 MEN1 (0.59) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL30167681 0.75 LTA4H (0.68) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL12726668 0.75 LTA4H (0.68) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL9152440 0.75 LTA4H (0.68) ALDH1A1HPGDSMN1; SMN2TP53KDM4E
SCHEMBL17626160 0.74 NOX1 (0.47) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT

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 ALDH1A1 1166/4885HPGD 1547/4885SMN1; SMN2 4828/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885HPGD 1547/4885SMN1; SMN2 4828/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885HPGD 1547/4885SMN1; SMN2 4828/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 ALDH1A1 1754/4885HPGD 1793/4885SMN1; SMN2 4771/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885HPGD 1547/4885SMN1; SMN2 4828/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ALDH1A1 1754/4885HPGD 1793/4885SMN1; SMN2 4771/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885HPGD 1547/4885SMN1; SMN2 4828/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 ALDH1A1 1754/4885HPGD 1793/4885SMN1; SMN2 4771/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 ALDH1A1 1166/4885HPGD 1547/4885SMN1; SMN2 4828/4885

“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.