SCHEMBL3530806

SCHEMBL3530806

Oc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.64
SPHK2 Q9NRA0 1/20 0.55
ACHE P22303 1/20 0.53
ADCY1 Q08828 4/20 0.53
ADCY8 P40145 3/20 0.53
KDR P35968 5/20 0.52
FLT1 P17948 3/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDH2 P48735 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12335767 0.89 GSK3B (0.56) GSK3BADCY1ADCY8KDRFLT1
SCHEMBL17377338 0.84 GSK3B (0.75) GSK3BSPHK2ACHEKDRFLT1
SCHEMBL1252103 0.83 GSK3B (0.58) GSK3BADCY1ADCY8KDRFLT1
SCHEMBL12336240 0.82 GSK3B (0.60) GSK3BADCY1ADCY8KDRFLT1
SCHEMBL1347655 0.81 KDR (0.58) GSK3BADCY1KDRFLT1RAB9A
SCHEMBL3534097 0.81 SPHK2 (0.59) GSK3BSPHK2ACHEMEN1KMT2A
SCHEMBL3533153 0.80 GSK3B (0.55) GSK3BADCY1ADCY8KDRFLT1
SCHEMBL28615859 0.80 GSK3B (0.78) GSK3BSPHK2ACHEMEN1KMT2A
SCHEMBL12336253 0.79 GSK3B (0.51) GSK3BADCY1ADCY8KDRFLT1
SCHEMBL12015923 0.78 KDR (0.53) GSK3BADCY1ADCY8KDRFLT1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550266-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR KINASE INHIBITION AMITECH THERAPEUTICS SOLUTIONS INC (US) 2018-05-09 EP 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-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-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
CN-101654452-A Heterocyclic compounds and methods of use. TARGEGEN INC US 2010-02-24 CN 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
EP-1799656-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN INC (US) 2009-09-02 EP disclosed
EP-1799656-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Targegen, Inc. (US) 2007-06-27 EP disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 US disclosed
WO-2006024034-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2006-03-02 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 (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 2586/4885SPHK2 2502/4885ACHE 656/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885SPHK2 2502/4885ACHE 656/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS GSK3B 2586/4885SPHK2 2502/4885ACHE 656/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885SPHK2 2502/4885ACHE 656/4885

“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.