SCHEMBL2779421

SCHEMBL2779421

NC(=NCc1ccccc1OC(F)(F)F)Nc1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.47
GRIN1 Q05586 2/20 0.47
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
TAOK1 Q7L7X3 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR7 P34969 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
NR3C2 P08235 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 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
SCHEMBL2779359 0.85 CLK2 (0.51) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL2781464 0.84 GRIN2B (0.45) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL2782661 0.83 HTR7 (0.55) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL2782840 0.82 CLK2 (0.40) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL2781312 0.77 ADRA2A (0.53) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL2779417 0.76 NTRK1 (0.42) HDAC3HDAC1HDAC2HDAC6ADORA2A
SCHEMBL2779637 0.75 ATP4A (0.43) GRIN2BGRIN1CLK2GSK3AGSK3B
SCHEMBL2779645 0.74 ATP4A (0.38) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2780786 0.73 ATP4A (0.37) CLK2GSK3AGSK3BCDK9CDK5
SCHEMBL2780083 0.72 DPP4 (0.45) CDK5CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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 (1 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E GRIN2B 86/4885GRIN1 231/4885CLK2 3235/4885

“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.