SCHEMBL6858038

SCHEMBL6858038

N#CC(=Cc1cncc(Br)c1)c1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF20A O95235 12/20 0.69
DYRK1A Q13627 8/20 0.69
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 1/20 0.56
CLK1 P49759 7/20 0.55
PIP4K2A P48426 1/20 0.55
CLK2 P49760 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
ALDH1A1 P00352 1/20 0.43
GLA P06280 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
SCHEMBL6858032 1.00 KIF20A (0.69) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL2726006 0.84 KIF20A (0.77) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL2726001 0.84 KIF20A (0.77) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL2725529 0.81 KIF20A (1.00) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL29382113 0.81 KIF20A (1.00) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL2725764 0.81 KIF20A (1.00) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL2725524 0.81 KIF20A (1.00) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL274836 0.79 KIF20A (0.79) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL274837 0.79 KIF20A (0.79) KIF20ADYRK1AMEN1KMT2ANPC1
SCHEMBL21578427 0.77 PIP4K2A (0.79) KIF20ADYRK1AMEN1KMT2ANPC1

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 KIF20A 871/4885DYRK1A 1054/4885MEN1 1169/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 KIF20A 871/4885DYRK1A 1054/4885MEN1 1169/4885

“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.