SCHEMBL3530122

SCHEMBL3530122

Oc1ccc(-c2nnc(Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
ACHE P22303 2/20 0.48
SPHK2 Q9NRA0 1/20 0.47
ADCY1 Q08828 3/20 0.43
ADCY8 P40145 2/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRA2A P08913 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.41
HTT P42858 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3529476 0.82 GSK3B (0.49) GSK3BACHEADCY1ADCY8MEN1
SCHEMBL17377338 0.80 GSK3B (0.75) GSK3BACHESPHK2MEN1MAPK1
SCHEMBL3534350 0.79 SPHK2 (0.56) GSK3BACHESPHK2MEN1KMT2A
SCHEMBL3530806 0.78 GSK3B (0.64) GSK3BACHESPHK2ADCY1ADCY8
SCHEMBL3534650 0.77 GSK3B (0.45) GSK3BADCY1ADCY8MEN1KMT2A
SCHEMBL27704352 0.71 DGAT1 (0.45) MEN1MAPK1KMT2AADRA2APOLB
SCHEMBL1346338 0.71 KDR (0.49) GSK3BPOLBKDM4EALDH1A1
SCHEMBL3532271 0.70 SPHK2 (0.74) GSK3BACHESPHK2MEN1MAPK1
SCHEMBL17377392 0.70 SPHK2 (0.74) GSK3BACHESPHK2MEN1MAPK1
SCHEMBL3534097 0.69 SPHK2 (0.59) GSK3BACHESPHK2MEN1MAPK1

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 24 patents — showing the first 20. 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-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 2586/4885ACHE 656/4885SPHK2 2502/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885ACHE 656/4885SPHK2 2502/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS GSK3B 2586/4885ACHE 656/4885SPHK2 2502/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS GSK3B 2586/4885ACHE 656/4885SPHK2 2502/4885

“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.