SCHEMBL17625967

SCHEMBL17625967

CCc1cnc(-c2c[c]ccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 2/20 0.40
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 1/20 0.34
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGDS O60760 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
FDPS P14324 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL153089 0.80 CYP11B1 (0.56) CYP11B1CYP11B2HDAC1HDAC2CCNE1
SCHEMBL4541985 0.79 HDAC4 (0.40) CYP11B1CYP11B2HDAC1CDK2ALDH1A1
SCHEMBL3802918 0.77 HSD17B1 (0.47) ALDH1A1SMN1; SMN2KDM4ENPC1HPGDS
SCHEMBL152405 0.74 HPGDS (0.50) CYP11B1CYP11B2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL10141022 0.71 CYP11B1 (0.48) CYP11B1CYP11B2HDAC1HDAC2CCNE1
SCHEMBL10311346 0.71 CDC7 (0.53) CYP11B1CYP11B2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL26759056 0.70 HDAC1 (0.41) CYP11B1CYP11B2HDAC1CDK2ALDH1A1
SCHEMBL26759020 0.70 PTPN11 (0.40) CYP11B1CYP11B2HDAC1HDAC2CCNE1
SCHEMBL26759340 0.70 XDH (0.44) CYP11B1CYP11B2HDAC1HDAC2CCNE1
SCHEMBL3065978 0.70 CYP11B1 (0.47) CYP11B1CYP11B2HDAC1HDAC2CCNE1

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 14 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
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 CYP11B1 385/4885CYP11B2 465/4885HDAC1 3629/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 CYP11B1 385/4885CYP11B2 465/4885HDAC1 3629/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 CYP11B1 385/4885CYP11B2 465/4885HDAC1 3629/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 CYP11B1 614/4885CYP11B2 840/4885HDAC1 3031/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 CYP11B1 385/4885CYP11B2 465/4885HDAC1 3629/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP11B1 614/4885CYP11B2 840/4885HDAC1 3031/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 CYP11B1 385/4885CYP11B2 465/4885HDAC1 3629/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP11B1 614/4885CYP11B2 840/4885HDAC1 3031/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 CYP11B1 385/4885CYP11B2 465/4885HDAC1 3629/4885

“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.