SCHEMBL3534650

SCHEMBL3534650

Nc1cc(Oc2ccc(-c3nnc(Nc4cc(C(F)(F)F)ccc4Cl)o3)cc2)nc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.45
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NTRK1 P04629 2/20 0.38
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
CDK11B P21127 1/20 0.37
FLT3 P36888 1/20 0.37
CDKL2 Q92772 1/20 0.37
KDR P35968 2/20 0.36
HPGD P15428 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADCY8 P40145 2/20 0.34
ADCY1 Q08828 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL627855 0.84 GSK3B (0.51) GSK3BKDM4EPDGFRBKITPDGFRA
SCHEMBL3534025 0.84 KDR (0.47) GSK3BKDM4EALDH1A1KDR
SCHEMBL3529476 0.81 GSK3B (0.49) GSK3BKDM4EALDH1A1NTRK1HPGD
Trifluoroacetic Acid SCHEMBL3530866 0.79 KDR (0.48) GSK3BKDM4EALDH1A1KDR
SCHEMBL3529698 0.79 GSK3B (0.60) GSK3BKDM4EALDH1A1MEN1KMT2A
SCHEMBL12057524 0.79 GSK3B (0.47) GSK3BKDM4EALDH1A1LMNAHTT
SCHEMBL3530122 0.77 GSK3B (0.52) GSK3BKDM4EALDH1A1HTTMEN1
SCHEMBL17658740 0.77 GSK3B (0.47) GSK3BPDGFRBKITPDGFRACDK11B
SCHEMBL3531460 0.76 GSK3B (0.46) GSK3BKDM4EALDH1A1MEN1KMT2A
SCHEMBL12336259 0.76 GSK3B (0.45) GSK3BKDM4EPDGFRBKITPDGFRA

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 3566/4885ALDH1A1 1642/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885KDM4E 3566/4885ALDH1A1 1642/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS GSK3B 2586/4885KDM4E 3566/4885ALDH1A1 1642/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885KDM4E 3566/4885ALDH1A1 1642/4885

“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.