SCHEMBL6833482

SCHEMBL6833482

c1ccc(C(=Nc2cncc(Nc3cccc4cnccc34)c2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1A P35348 1/20 0.47
KMT2A Q03164 6/20 0.45
HTT P42858 5/20 0.45
MEN1 O00255 4/20 0.45
BLM P54132 3/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 11/20 0.43
MAPT P10636 9/20 0.43
KDM4E B2RXH2 7/20 0.43
AKT1 P31749 1/20 0.43
TRPV1 Q8NER1 4/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL6835376 0.74 SIRT2 (0.50) SIRT2SIRT1SIRT3ADRA2AADRA2B
SCHEMBL3220846 0.74 KMT2A (0.53) KMT2AHTTMEN1BLMMAPK1
SCHEMBL6832925 0.74 ADRA2A (0.50) SIRT2SIRT1SIRT3ADRA2AADRA2B
SCHEMBL25175478 0.71 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL27192425 0.68 CYP3A4 (0.39) ADRA2AADRA2BADRA2CADRA1AKMT2A
SCHEMBL17737359 0.67 KMT2A (0.76) KMT2AHTTMEN1BLMMAPK1
SCHEMBL23332049 0.67 KMT2A (0.61) KMT2AHTTMEN1BLMMAPK1
SCHEMBL22002017 0.66 ADRA2A (0.71) SIRT2SIRT1SIRT3ADRA2AADRA2B
SCHEMBL25167314 0.66 ADRA2A (1.00) SIRT2SIRT1SIRT3ADRA2AADRA2B
SCHEMBL21903950 0.65 CHUK (0.38) KMT2AHTTMEN1BLMMAPK1

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 SIRT2 4487/4885SIRT1 4506/4885SIRT3 4741/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 SIRT2 4487/4885SIRT1 4506/4885SIRT3 4741/4885

“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.