SCHEMBL4595908

SCHEMBL4595908

N#Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
PRKACA P17612 1/20 0.58
CDK8 P49336 1/20 0.58
CLK2 P49760 1/20 0.58
GSK3A P49840 1/20 0.58
CDK9 P50750 1/20 0.58
CDK5 Q00535 1/20 0.58
PRKCQ Q04759 1/20 0.58
ROCK1 Q13464 1/20 0.58
DYRK1A Q13627 1/20 0.58
LRRK2 Q5S007 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
KIF11 P52732 5/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PTPN5 P54829 1/20 0.43
EPHX2 P34913 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
SCHEMBL4596462 0.84 ACP1 (0.53) GSK3BCLK4PRKACACDK8CLK2
SCHEMBL22853455 0.81 KDM4E (0.60) GSK3BCLK4PRKACACDK8CLK2
SCHEMBL4596701 0.78 PTPN5 (0.44) GSK3BCLK4PRKACACDK8CLK2
SCHEMBL20105115 0.78 CLK4 (0.47) GSK3BCLK4PRKACACDK8CLK2
SCHEMBL28248630 0.74 VNN1 (0.50) GSK3BCLK4PRKACACLK2GSK3A
SCHEMBL5430206 0.74 KIF11 (0.67) KIF11TAS2R14
SCHEMBL3475619 0.72 KDM4E (1.00) GSK3BCLK4PRKACACDK8CLK2
SCHEMBL14014974 0.72 MEN1 (0.55) KDM4EHPGDPTPN5EPHX2ACP1
SCHEMBL12505273 0.72 KDM4E (0.38) GSK3BCLK4PRKACACDK8CLK2
SCHEMBL5526004 0.71 KIF11 (1.00) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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 (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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 GSK3B 1444/4885CLK4 3566/4885PRKACA 88/4885

“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.