SCHEMBL2357212

SCHEMBL2357212

CCn1c(Nc2nc3ccc(C(F)(F)F)cc3s2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.48
CSNK1D P48730 8/20 0.47
PIK3CG P48736 1/20 0.47
KMT2A Q03164 1/20 0.46
ACP1 P24666 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
S1PR1 P21453 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43
LCK P06239 1/20 0.43
ITK Q08881 1/20 0.43
AURKB Q96GD4 1/20 0.43
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL30265204 1.00 DYRK1A (0.48) DYRK1ACSNK1DPIK3CGKMT2AACP1
SCHEMBL2352223 0.87 DYRK1A (0.52) DYRK1ACSNK1DPIK3CGACP1CYP2D6
SCHEMBL17802787 0.85 DYRK1A (0.51) DYRK1ACSNK1DKMT2AACP1KDM4E
SCHEMBL30265114 0.84 KMT2A (0.55) DYRK1AKMT2AKDM4ETDP1ALDH1A1
SCHEMBL2251888 0.83 DYRK1A (0.50) DYRK1ACSNK1DACP1KDM4ETDP1
SCHEMBL2249738 0.83 DYRK1A (0.49) DYRK1ACSNK1DACP1ALDH1A1MAPT
SCHEMBL2248868 0.82 SMN1; SMN2 (0.51) DYRK1ACSNK1DPIK3CGKMT2AACP1
SCHEMBL2247719 0.81 DYRK1A (0.48) DYRK1ACSNK1DACP1ALDH1A1MAPT
SCHEMBL2248676 0.78 ACSS2 (0.47) DYRK1ACSNK1DACP1RAB9A
SCHEMBL29602968 0.78 ACSS2 (0.47) DYRK1ACSNK1DACP1RAB9A

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-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
WO-2016089648-A1 BACH 1 INHIBITORS IN COMBINATION WITH NRF2 ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS THEREOF VTV THERAPEUTICS LLC (US) 2016-06-09 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 3015/4885CSNK1D 2078/4885PIK3CG 2842/4885
US-20190076410-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885CSNK1D 2078/4885PIK3CG 2842/4885
US-20170231967-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885CSNK1D 2078/4885PIK3CG 2842/4885
US-10898475-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 DYRK1A 3704/4885CSNK1D 2154/4885PIK3CG 2863/4885
US-20210069159-A1 Bach1 Inhibitors in Combination with Nrf2 Activators and Pharmaceutical Compositions Thereof BACH1, KEAP1, NFE2L2 DYRK1A 2930/4885CSNK1D 2060/4885PIK3CG 2017/4885
US-10172840-B2 Bach1 inhibitors in combination with Nrf2 activators and pharmaceutical compositions thereof BACH1, KEAP1, NFE2L2 DYRK1A 3015/4885CSNK1D 2078/4885PIK3CG 2842/4885

“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.