SCHEMBL2248098

SCHEMBL2248098

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.45
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
PCSK9 Q8NBP7 1/20 0.42
IDH1 O75874 9/20 0.41
CSNK1D P48730 4/20 0.40
DGAT1 O75907 1/20 0.40
PKM P14618 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL29602848 1.00 DYRK1A (0.45) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL29602649 0.95 DYRK1A (0.47) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2247967 0.95 DYRK1A (0.47) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL29602742 0.94 DYRK1A (0.45) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2243613 0.94 DYRK1A (0.45) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL6923195 0.94 DYRK1A (0.47) DYRK1AHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL2249868 0.93 DYRK1A (0.46) DYRK1AHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL2252667 0.93 DYRK1A (0.46) DYRK1AHDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL29603627 0.93 DYRK1A (0.46) DYRK1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL29602775 0.93 DYRK1A (0.46) DYRK1AHDAC3HDAC4HDAC1HDAC7

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2021-01-12 US disclosed
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2021-01-07 US disclosed
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof VTVX HOLDINGS II LLC 2020-05-14 US disclosed
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
US-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. 2019-06-27 US disclosed
US-10287284-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2019-05-14 US disclosed
US-10030011-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof VTV THERAPEUTICS LLC (US) 2018-07-24 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-20140200212-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HIGH POINT PHARMACEUTICALS, LLC (US) 2014-07-17 US 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 (13 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-20220169641-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN DYRK1A 3837/4885HDAC3 499/4885HDAC4 1282/4885
US-11130753-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN DYRK1A 3837/4885HDAC3 499/4885HDAC4 1282/4885
US-20110201604-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, PTGS2 DYRK1A 4173/4885HDAC3 137/4885HDAC4 632/4885
US-10287284-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HMOX2, HMOX1, PTGS2 DYRK1A 4173/4885HDAC3 137/4885HDAC4 632/4885
US-20230312548-A1 SUBSTITUTE FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLS, HMOX2, REN DYRK1A 3860/4885HDAC3 816/4885HDAC4 1588/4885
US-11649230-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GLS, HMOX2, REN DYRK1A 3837/4885HDAC3 499/4885HDAC4 1282/4885
US-20200148673-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GOT2, GLS2, PYGL DYRK1A 4545/4885HDAC3 203/4885HDAC4 713/4885
US-20190194181-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, UACA DYRK1A 4090/4885HDAC3 645/4885HDAC4 1178/4885
US-10030011-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HMOX2, HMOX1, PTGS2 DYRK1A 4173/4885HDAC3 137/4885HDAC4 632/4885
US-10889580-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof GOT2, GLS2, PYGL DYRK1A 4545/4885HDAC3 203/4885HDAC4 713/4885
US-20140200212-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof HMOX2, HMOX1, PTGS2 DYRK1A 4173/4885HDAC3 137/4885HDAC4 632/4885
US-10570126-B2 Substituted fused imidazole derivatives, pharmaceutical compositions, and methods of use thereof HMOX2, HMOX1, UACA DYRK1A 4090/4885HDAC3 645/4885HDAC4 1178/4885
US-20210002268-A1 Substituted Fused Imidazole Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLS, HMOX2, REN DYRK1A 3837/4885HDAC3 499/4885HDAC4 1282/4885

“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.