SCHEMBL17628676

SCHEMBL17628676

Fc1cc(N2CCCC2)c(F)cc1-c1cs[c]n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
IP6K1 Q92551 1/20 0.35
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 8/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 3/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK10 P53779 1/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
FEN1 P39748 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL17626041 0.99 MAPK1 (0.36) TSHRIP6K1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17626121 0.87 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17626150 0.85 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL17626117 0.78 ALDH1A1 (0.43) TSHRIP6K1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17626153 0.77 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL17626072 0.76 MAPT (0.46) IP6K1ALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL19626783 0.74 TSHR (0.40) TSHRALDH1A1MAPTPKMHPGD
SCHEMBL17626044 0.73 LMNA (0.42) TSHRALDH1A1SMN1; SMN2MAPTPKM
SCHEMBL17626084 0.73 MAPT (0.35) TSHRIP6K1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17626038 0.73 KEAP1 (0.42) ALDH1A1SMN1; SMN2MAPTHPGDALOX15

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
CN-109776537-A Purinedione as WNT pathway modulators 新加坡科技研究局 2019-05-21 CN 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

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 TSHR 1830/4885IP6K1 476/4885ALDH1A1 1166/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 TSHR 1830/4885IP6K1 476/4885ALDH1A1 1166/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 TSHR 1830/4885IP6K1 476/4885ALDH1A1 1166/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 TSHR 1377/4885IP6K1 457/4885ALDH1A1 1754/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 TSHR 1830/4885IP6K1 476/4885ALDH1A1 1166/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 TSHR 1377/4885IP6K1 457/4885ALDH1A1 1754/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 TSHR 1830/4885IP6K1 476/4885ALDH1A1 1166/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 TSHR 1377/4885IP6K1 457/4885ALDH1A1 1754/4885
US-20180170932-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 TSHR 1830/4885IP6K1 476/4885ALDH1A1 1166/4885

“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.