SCHEMBL17626005

SCHEMBL17626005

FC(F)(F)c1cc(-c2cs[c]n2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.51
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
CYP1A2 P05177 1/20 0.42
CASP3 P42574 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
MPL P40238 1/20 0.38
COMT P21964 1/20 0.38
FAAH O00519 1/20 0.37
GRM4 Q14833 1/20 0.37
PTGS2 P35354 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
SCHEMBL2751038 0.86 NOTUM (0.47) NOTUMCTSSCTSKMPL
SCHEMBL17626023 0.83 MPL (0.56) NOTUMCTSSCTSKPDE3BPDE3A
SCHEMBL679565 0.80 AHR (0.46) CYP1A2
SCHEMBL17626113 0.80 CYP11B2 (0.48) MPL
SCHEMBL17626040 0.80 ABL1 (0.44) CYP1A2
SCHEMBL17626286 0.76 ABL1 (0.44) PTGS2
SCHEMBL17626019 0.76 PDE3B (0.37) NOTUMCTSSCTSKPDE3BPDE3A
SCHEMBL17626193 0.76 NOTUM (0.49) NOTUMPDE3BPDE3AMPL
SCHEMBL17626000 0.75 NOTUM (0.48) NOTUMCYP1A2PDE3BPDE3A
SCHEMBL468050 0.75 KIF11 (0.50) CTSSCTSK

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 NOTUM 4296/4885CTSS 4477/4885CTSK 4202/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CTSS 4477/4885CTSK 4202/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CTSS 4477/4885CTSK 4202/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 NOTUM 4491/4885CTSS 4450/4885CTSK 4120/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CTSS 4477/4885CTSK 4202/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885CTSS 4450/4885CTSK 4120/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CTSS 4477/4885CTSK 4202/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885CTSS 4450/4885CTSK 4120/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 NOTUM 4296/4885CTSS 4477/4885CTSK 4202/4885

“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.