SCHEMBL3529476

SCHEMBL3529476

FC(F)(F)c1ccc(Cl)c(Nc2nnc(-c3ccc(Oc4cncnc4)cc3)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.49
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.37
NTRK1 P04629 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA2A P08913 1/20 0.37
ADCY1 Q08828 3/20 0.37
ADCY8 P40145 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK2 P24941 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL12015918 0.83 GSK3B (0.48) GSK3BKDM4EALDH1A1MEN1KMT2A
SCHEMBL3533153 0.82 GSK3B (0.55) GSK3BKDM4EHPGDNPC1NPSR1
SCHEMBL3530122 0.82 GSK3B (0.52) GSK3BKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL3534650 0.81 GSK3B (0.45) GSK3BKDM4EHPGDALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3528686 0.78 RAF1 (0.46) GSK3B
SCHEMBL12057526 0.77 GSK3B (0.51) GSK3BKDM4EALDH1A1LMNAHTT
SCHEMBL12075107 0.77 GSK3B (0.46) GSK3BKDM4EALDH1A1LMNAHTT
SCHEMBL3533861 0.76 GSK3B (0.67) GSK3BNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3785741 0.74 GSK3B (0.50) GSK3BKDM4EALDH1A1NPC1RAB9A
SCHEMBL12015923 0.73 KDR (0.53) GSK3BNPC1ADCY1ADCY8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
EP-2532653-A1 Benzo[1,2,4]triazines as protein kinase modulators Targegen, Inc. (US) 2012-12-12 EP disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 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 (4 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885KDM4E 3566/4885HPGD 101/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885KDM4E 3566/4885HPGD 101/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS GSK3B 2586/4885KDM4E 3566/4885HPGD 101/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885KDM4E 3566/4885HPGD 101/4885

“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.