Sugi Predict

Sugi Predict / Compounds / SCHEMBL1111305

SCHEMBL1111305

SCHEMBL1111305

CC(F)(F)c1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ KIF11 P52732 4/20 0.44
▸ PTPN5 P54829 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ TRPV4 Q9HBA0 1/20 0.41
▸ GRM5 P41594 3/20 0.41
▸ VNN1 O95497 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL22302828 0.85 PTPN5 (0.44) PDK1PDK2PDK3PDK4KIF11
SCHEMBL440276 0.83 KIF11 (0.50) KIF11PTPN5ENPP2GRM5VNN1
SCHEMBL29421430 0.83 KIF11 (0.50) KIF11PTPN5ENPP2GRM5VNN1
SCHEMBL179266 0.83 KIF11 (0.50) PDK1PDK2PDK3PDK4KIF11
SCHEMBL19642643 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4KIF11
SCHEMBL19642641 0.82 PDK2 (0.48) PDK1PDK2PDK3PDK4KIF11
Hydrochloric Acid SCHEMBL27358839 0.82 MRGPRX4 (0.49) KIF11PTPN5ENPP2GRM5VNN1
SCHEMBL12262386 0.80 ENPP2 (0.46) PDK1PDK2PDK3PDK4KIF11
SCHEMBL21891465 0.80 KIF11 (0.44) PDK1PDK2PDK3PDK4KIF11
SCHEMBL22667407 0.80 KIF11 (0.44) PDK1PDK2PDK3PDK4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12539295-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-02-03 — — US disclosed
US-20240131016-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-04-25 — — US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11779578-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 — — US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 — — US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 — — US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 — — US disclosed
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-11 — — US disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 — — EP disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 — — WO disclosed
WO-2009131814-A2 1,5-DIPHENYL-PYRROLIDIN-2-ONE COMPOUNDS AS CB-1 LIGANDS ELI LILLY AND COMPANY (US) 2009-10-29 — — WO disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 — — WO disclosed
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 — — WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 — — US disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 — — WO disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 — — US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 — — US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 — — 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 (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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP PDK1 2222/4885PDK2 3936/4885PDK3 3815/4885
US-12539295-B2 IRAK degraders and uses thereof IRAK2, IRAK4, IRAK3 PDK1 1423/4885PDK2 2704/4885PDK3 2635/4885
US-20240131016-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK1 504/4885PDK2 1509/4885PDK3 1462/4885
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP PDK1 2870/4885PDK2 3731/4885PDK3 3804/4885
US-11779578-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PDK1 504/4885PDK2 1509/4885PDK3 1462/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PDK1 504/4885PDK2 1509/4885PDK3 1462/4885
US-20230144292-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PDK1 504/4885PDK2 1509/4885PDK3 1462/4885

“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.