SCHEMBL17626210

SCHEMBL17626210

Nc1s[c]nc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AHR P35869 3/20 0.43
▸ KMO O15229 5/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ DHFR P00374 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ BRAF P15056 2/20 0.37
▸ PDE4A P27815 2/20 0.37
▸ PDE4B Q07343 2/20 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
SCHEMBL17625961 0.81 AHR (0.45) KDM4EALDH1A1MAPTL3MBTL1AHR
SCHEMBL17625948 0.80 KDM4E (0.40) KDM4EALDH1A1MAPTL3MBTL1NPC1
SCHEMBL17626346 0.79 AHR (0.43) KDM4EALDH1A1MAPTL3MBTL1AHR
SCHEMBL17626167 0.77 IDO1 (0.43) KDM4EALDH1A1MAPTAHRKMO
SCHEMBL17626309 0.76 BRAF (0.50) KDM4EKMONPC1RAB9ABRAF
SCHEMBL17626244 0.76 AHR (0.39) KDM4EALDH1A1MAPTL3MBTL1AHR
SCHEMBL17626083 0.76 AHR (0.39) KDM4EALDH1A1MAPTL3MBTL1AHR
SCHEMBL17626002 0.74 KMO (0.40) KDM4EALDH1A1AHRKMOCYP3A4
SCHEMBL28053463 0.74 KDM4E (0.39) KDM4EALDH1A1MAPTL3MBTL1AHR
SCHEMBL17625932 0.73 AHR (0.37) KDM4EMAPTAHRKMONPC1

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 KDM4E 3779/4885ALDH1A1 1166/4885MAPT 4783/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 KDM4E 3779/4885ALDH1A1 1166/4885MAPT 4783/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KDM4E 3779/4885ALDH1A1 1166/4885MAPT 4783/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 KDM4E 3291/4885ALDH1A1 1754/4885MAPT 4782/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 KDM4E 3779/4885ALDH1A1 1166/4885MAPT 4783/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KDM4E 3291/4885ALDH1A1 1754/4885MAPT 4782/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 KDM4E 3779/4885ALDH1A1 1166/4885MAPT 4783/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KDM4E 3291/4885ALDH1A1 1754/4885MAPT 4782/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 KDM4E 3779/4885ALDH1A1 1166/4885MAPT 4783/4885

“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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