SCHEMBL2246178

SCHEMBL2246178

Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)NCCNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
IDH1 O75874 6/20 0.41
LCK P06239 5/20 0.41
PCSK9 Q8NBP7 1/20 0.41
CSNK1D P48730 3/20 0.41
BRD4 O60885 1/20 0.41
STING1 Q86WV6 1/20 0.40

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
SCHEMBL2254960 0.92 DYRK1A (0.46) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL2248257 0.91 DYRK1A (0.48) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL29603478 0.91 DYRK1A (0.49) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL2245968 0.91 DYRK1A (0.54) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL29603704 0.91 DYRK1A (0.54) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL23803183 0.91 DYRK1A (0.49) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL2245989 0.91 DYRK1A (0.49) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL6954610 0.90 DYRK1A (0.45) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL2248770 0.90 DYRK1A (0.50) DYRK1AKCNQ3KCNQ2HDAC3HDAC4
SCHEMBL2246097 0.90 DYRK1A (0.50) DYRK1AKCNQ3KCNQ2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2024-09-17 US disclosed
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC 2023-10-05 US disclosed
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC 2023-10-05 US disclosed
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2023-05-16 US disclosed
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2023-05-16 US disclosed
US-20230093476-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING REFRACTIVE OCULAR DISORDERS VTV THERAPEUTICS LLC 2023-03-23 US disclosed
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2022-06-02 US disclosed
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2022-06-02 US disclosed
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-09-28 US disclosed
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-09-28 US disclosed
EP-2536285-B1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2018-04-25 EP disclosed
US-20170231967-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2017-08-17 US disclosed
WO-2016089648-A1 BACH 1 INHIBITORS IN COMBINATION WITH NRF2 ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS THEREOF VTV THERAPEUTICS LLC (US) 2016-06-09 WO disclosed
US-20140200212-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-17 US disclosed
US-8759535-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2014-06-24 US disclosed
EP-2536285-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF High Point Pharmaceuticals, LLC (US) 2012-12-26 EP disclosed
WO-2011103018-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-25 WO disclosed
WO-2011103018-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-25 WO disclosed
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-18 US disclosed
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-18 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-12091407-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN DYRK1A 3837/4885KCNQ3 3412/4885KCNQ2 3519/4885
US-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN DYRK1A 3837/4885KCNQ3 3412/4885KCNQ2 3519/4885
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN DYRK1A 3837/4885KCNQ3 3412/4885KCNQ2 3519/4885
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, PTGS2 DYRK1A 4173/4885KCNQ3 3311/4885KCNQ2 3562/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN DYRK1A 3860/4885KCNQ3 3207/4885KCNQ2 3320/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN DYRK1A 3837/4885KCNQ3 3412/4885KCNQ2 3519/4885
US-20170231967-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885KCNQ3 4345/4885KCNQ2 4249/4885
US-20230093476-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING REFRACTIVE OCULAR DISORDERS ALDH1A2, UACA, PDE6D DYRK1A 2501/4885KCNQ3 776/4885KCNQ2 508/4885
US-20140200212-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, PTGS2 DYRK1A 4173/4885KCNQ3 3311/4885KCNQ2 3562/4885

“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.