SCHEMBL6855281

SCHEMBL6855281

O=C(Nc1n[nH]c2ccc(Br)cc12)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.67
GSK3B P49841 4/20 0.49
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
FADS1 O60427 1/20 0.46
NTRK1 P04629 2/20 0.43
CHUK O15111 1/20 0.43
CDK2 P24941 5/20 0.42
PRKD3 O94806 2/20 0.42
MAP4K4 O95819 2/20 0.42
MARK3 P27448 2/20 0.42
FLT4 P35916 2/20 0.42
MAPK9 P45984 2/20 0.42
CLK2 P49760 2/20 0.42
MAP4K2 Q12851 2/20 0.42
CAMK2B Q13554 2/20 0.42
CAMK2G Q13555 2/20 0.42
MARK2 Q7KZI7 2/20 0.42
MINK1 Q8N4C8 2/20 0.42
HIPK4 Q8NE63 2/20 0.42

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
SCHEMBL17848098 0.89 DYRK1A (0.85) DYRK1AGSK3BPDPK1JAK2CHUK
SCHEMBL3510565 0.77 NTRK1 (0.49) DYRK1AGSK3BPDPK1JAK2NTRK1
SCHEMBL7257078 0.77 GSK3B (0.81) DYRK1AGSK3BCDK2PRKD3MAP4K4
SCHEMBL3510459 0.76 NTRK1 (0.77) NTRK1AURKBMAP4K5FERNTRK3
SCHEMBL590142 0.76 DYRK1A (0.44) DYRK1AGSK3BJAK2CDK2PRKD3
SCHEMBL6487193 0.76 DYRK1A (0.51) DYRK1AGSK3BPDPK1JAK2FADS1
SCHEMBL6490355 0.76 GSK3B (0.63) DYRK1AGSK3BCDK2PRKD3MAP4K4
SCHEMBL6487186 0.76 DYRK1A (0.51) DYRK1AGSK3BPDPK1JAK2FADS1
SCHEMBL17179223 0.76 DYRK1A (0.51) DYRK1AGSK3BPDPK1JAK2FADS1
SCHEMBL15484549 0.76 DYRK1A (0.51) DYRK1AGSK3BPDPK1JAK2FADS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 DYRK1A 1054/4885GSK3B 442/4885PDPK1 84/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 DYRK1A 1054/4885GSK3B 442/4885PDPK1 84/4885

“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.