SCHEMBL17626025

SCHEMBL17626025

Cc1ccc(-c2s[c]nc2-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ SCN4A P35499 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ CTSA P10619 1/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 1/20 0.34

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
SCHEMBL17626080 0.88 CYP2A6 (0.40) ALDH1A1CYP2D6MAOAMAPK1ADRA1A
SCHEMBL28053577 0.84 CYP2D6 (0.37) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL17626002 0.75 KMO (0.40) HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL1047922 0.73 CNR2 (0.50) CNR2NUDT1
SCHEMBL17626097 0.72 MAPK1 (0.38) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL17626167 0.66 IDO1 (0.43) KDM4EALDH1A1PTGS2PTGS1
SCHEMBL8543656 0.66 ALDH1A1 (0.43) KDM4EALDH1A1MAPK1
Toluene SCHEMBL27793153 0.65 TSHR (0.58) ALDH1A1CYP2D6
SCHEMBL1915935 0.65 TDP1 (0.42) KDM4EALDH1A1MAPK1
SCHEMBL1047283 0.63 PBRM1 (0.42) KDM4EALDH1A1CYP2D6PTGS2

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 HSP90AA1 4688/4885HSP90AB1 4569/4885KDM4E 3779/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HSP90AA1 4688/4885HSP90AB1 4569/4885KDM4E 3779/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 HSP90AA1 4688/4885HSP90AB1 4569/4885KDM4E 3779/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 HSP90AA1 4713/4885HSP90AB1 4596/4885KDM4E 3291/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 HSP90AA1 4688/4885HSP90AB1 4569/4885KDM4E 3779/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 HSP90AA1 4713/4885HSP90AB1 4596/4885KDM4E 3291/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 HSP90AA1 4688/4885HSP90AB1 4569/4885KDM4E 3779/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 HSP90AA1 4713/4885HSP90AB1 4596/4885KDM4E 3291/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 HSP90AA1 4688/4885HSP90AB1 4569/4885KDM4E 3779/4885

“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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