SCHEMBL6855895

SCHEMBL6855895

Brc1cncc(Oc2cccc3cnccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.47
SIRT1 Q96EB6 2/20 0.47
SIRT3 Q9NTG7 2/20 0.47
KCNA3 P22001 1/20 0.47
AKT1 P31749 1/20 0.46
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
BRAF P15056 1/20 0.44
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
HTT P42858 1/20 0.39

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
SCHEMBL7226521 0.87 SIRT2 (0.60) SIRT2SIRT1SIRT3KCNA3AKT1
SCHEMBL8322359 0.79 KCNA3 (0.66) SIRT2SIRT1SIRT3KCNA3AKT1
SCHEMBL23087625 0.77 KDM4E (0.51) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14340747 0.75 KCNA3 (0.50) KCNA3LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2193231 0.72 LMNA (0.63) LMNAALDH1A1SMN1; SMN2TDP1CYP1A2
SCHEMBL14124559 0.71 TRPV1 (0.47) KCNA3LMNAALDH1A1BRAFKDM4E
SCHEMBL23087196 0.71 ALDH1A1 (0.53) SIRT2SIRT1SIRT3LMNAALDH1A1
SCHEMBL23087679 0.71 CHRNB2 (0.44) ALDH1A1HTT
SCHEMBL23087570 0.71 PRMT5 (0.42) BRAF
SCHEMBL23087648 0.71 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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.