SCHEMBL6835376

SCHEMBL6835376

Nc1cncc(Nc2cccc3cnccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1A P35348 1/20 0.50
AKT1 P31749 1/20 0.49
LMNA P02545 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 7/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 4/20 0.48
ROCK2 O75116 5/20 0.48
ROCK1 Q13464 5/20 0.48
CCR4 P51679 1/20 0.45

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
SCHEMBL6832925 0.83 ADRA2A (0.50) SIRT2SIRT1SIRT3ADRA2AADRA2B
SCHEMBL25175478 0.80 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL7352314 0.74 LMNA (0.49) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6833482 0.74 SIRT2 (0.47) SIRT2SIRT1SIRT3ADRA2AADRA2B
SCHEMBL31629163 0.73 LMNA (0.58) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2477664 0.73 LMNA (0.58) LMNACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27922088 0.72 EGFR (0.52) ADRA2AADRA2BADRA2CADRA1ALMNA
SCHEMBL17774823 0.72 SIRT2 (0.45) SIRT2SIRT1SIRT3LMNACYP1A2
SCHEMBL24010500 0.71 RAD52 (0.61) ADRA2AADRA2BADRA2CADRA1AAKT1
SCHEMBL9318997 0.70 CDC25B (0.67) SIRT2SIRT1SIRT3LMNACYP3A4

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.