SCHEMBL20487461

SCHEMBL20487461

CON(C)C(=O)c1cnc(C(F)(F)F)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
MLYCD O95822 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC4 P56524 2/20 0.38
HDAC3 O15379 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
ASPH Q12797 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK3 Q00526 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL23683571 0.84 ALDH1A1 (0.42) HDAC6HDAC4HDAC3ASPHALDH1A1
SCHEMBL16935072 0.83 HDAC4 (0.38) CLK1DYRK1ADYRK1BMLYCDHDAC6
SCHEMBL15575294 0.78 CLK1 (0.43) CLK1DYRK1ADYRK1BMLYCDHDAC6
SCHEMBL22021995 0.78 HCAR2 (0.55) CLK1DYRK1ADYRK1BMLYCDHDAC6
SCHEMBL10183970 0.76 CLK1 (0.42) CLK1DYRK1ADYRK1BTRPM8ICAM1
SCHEMBL20486058 0.75 ALDH1A1 (0.42) HDAC6ASPHMEN1KMT2ACCNE1
SCHEMBL3989938 0.73 HCAR2 (0.52) HDAC6HDAC4HDAC3ASPHMEN1
SCHEMBL23561446 0.73 ASPH (0.41) HDAC6HDAC4HDAC3ASPHMEN1
SCHEMBL19764489 0.73 CLK1 (0.40) CLK1DYRK1ADYRK1BHDAC6HDAC4
SCHEMBL2146812 0.72 SCD (0.42) DYRK1ADYRK1BHDAC6ICAM1SELE

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2025-01-30 US disclosed
EP-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
EP-3634964-B1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
US-10934294-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-03-02 US disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
US-20200140445-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-05-07 US disclosed
CN-111051308-A Pyrazolopyrimidine PDE9 inhibitors 默沙东公司 2020-04-21 CN disclosed
EP-3634964-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-04-15 EP disclosed
CN-110621672-A Cyclic sulfonamide compounds and methods of use thereof 组装生物科学股份有限公司 2019-12-27 CN disclosed
US-20180354955-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-12-13 US disclosed
WO-2018226771-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-12-13 WO disclosed
WO-2018160878-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-07 WO 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 (7 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-10934294-B2 Substituted pyrazolo[3,4-d]pyrimidines as PDE9 inhibitors PDE9A, PDE5A, PDE4D CLK1 2693/4885DYRK1A 1490/4885DYRK1B 1428/4885
US-20200140445-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE2A CLK1 2699/4885DYRK1A 1590/4885DYRK1B 1576/4885
US-20250034170-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 CLK1 2894/4885DYRK1A 3968/4885DYRK1B 4005/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 CLK1 4700/4885DYRK1A 4002/4885DYRK1B 3933/4885
US-20180354955-A1 PYRAZOLOPYRIMIDINE PDE9 INHIBITORS PDE9A, PDE5A, PDE12 CLK1 2003/4885DYRK1A 1039/4885DYRK1B 1116/4885
US-11078170-B2 Cyclic sulfamide compounds and methods of using same HCCS, HAVCR2, SLC10A1 CLK1 4700/4885DYRK1A 4002/4885DYRK1B 3933/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 CLK1 4700/4885DYRK1A 4002/4885DYRK1B 3933/4885

“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.