SCHEMBL19205293

SCHEMBL19205293

NCCn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
DGAT1 O75907 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CSNK1D P48730 4/20 0.43
IDH1 O75874 6/20 0.43
ACP1 P24666 1/20 0.43
SUV39H1 O43463 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
PRMT1 Q99873 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL2245455 0.94 DYRK1A (0.49) DYRK1ADGAT1HDAC3HDAC4HDAC1
SCHEMBL8358743 0.92 DYRK1A (0.49) DYRK1ADGAT1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL29603030 0.91 DYRK1A (0.48) DYRK1ADGAT1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL2247753 0.91 DYRK1A (0.48) DYRK1ADGAT1HDAC3HDAC4HDAC1
SCHEMBL2245948 0.90 DYRK1A (0.49) DYRK1ADGAT1HDAC3HDAC4HDAC1
SCHEMBL29603333 0.90 DYRK1A (0.52) DYRK1ADGAT1HDAC3HDAC4HDAC1
SCHEMBL2246217 0.90 DYRK1A (0.52) DYRK1ADGAT1HDAC3HDAC4HDAC1
SCHEMBL2245622 0.88 DYRK1A (0.56) DYRK1ADGAT1HDAC3HDAC4HDAC1
SCHEMBL2243455 0.87 DYRK1A (0.50) DYRK1ADGAT1HDAC3HDAC4HDAC1
SCHEMBL21066953 0.87 DYRK1A (0.48) DYRK1ADGAT1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230093476-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING REFRACTIVE OCULAR DISORDERS VTV THERAPEUTICS LLC 2023-03-23 US disclosed
US-20210338644-A1 Substituted Fused Imidazole Derivatives and Methods of Treating Sickle Cell Disease and Related Complications VTV THERAPEUTICS LLC 2021-11-04 US disclosed
US-20210283111-A1 Methods of Inhibiting Osteoclastogenesis and Osteoclast Activity VTV THERAPEUTICS LLC 2021-09-16 US disclosed
US-20210069159-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2021-03-11 US disclosed
US-10898475-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2021-01-26 US disclosed
US-10463652-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2019-11-05 US disclosed
US-20190076410-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2019-03-14 US disclosed
US-10172840-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof VTV THERAPEUTICS LLC (US) 2019-01-08 US disclosed
US-20170231967-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof VTV THERAPEUTICS LLC 2017-08-17 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-10463652-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885DGAT1 1909/4885HDAC3 1757/4885
US-20210338644-A1 Substituted Fused Imidazole Derivatives and Methods of Treating Sickle Cell Disease and Related Complications HBB, HBG1, HBG2 DYRK1A 4256/4885DGAT1 4713/4885HDAC3 1428/4885
US-20190076410-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885DGAT1 1909/4885HDAC3 1757/4885
US-20170231967-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885DGAT1 1909/4885HDAC3 1757/4885
US-10898475-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 DYRK1A 3704/4885DGAT1 616/4885HDAC3 1000/4885
US-20230093476-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES AND METHODS OF TREATING REFRACTIVE OCULAR DISORDERS ALDH1A2, UACA, PDE6D DYRK1A 2501/4885DGAT1 4749/4885HDAC3 231/4885
US-20210283111-A1 Methods of Inhibiting Osteoclastogenesis and Osteoclast Activity NFATC1, CTSF, CTSB DYRK1A 4322/4885DGAT1 3028/4885HDAC3 96/4885
US-20210069159-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 DYRK1A 2930/4885DGAT1 1506/4885HDAC3 1191/4885
US-10172840-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885DGAT1 1909/4885HDAC3 1757/4885

“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.