SCHEMBL6259586

SCHEMBL6259586

CN(C)Cc1nccn1-c1ccccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
F10 P00742 6/20 0.33
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MAPT P10636 1/20 0.33
NR1I2 O75469 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRNA4 P43681 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.32

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
SCHEMBL5388021 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3F10
SCHEMBL16361760 0.78 CYP3A4 (0.43) GAAMEN1KMT2AF10ALDH1A1
SCHEMBL15076123 0.77 POLB (0.46) ALDH1A1NR1I2OPRK1CHRNA4KCNH2
Hydrochloric Acid SCHEMBL15058462 0.76 POLB (0.44) F10ALDH1A1NR1I2OPRK1CHRNA4
SCHEMBL5395497 0.75 F10 (0.43) GAAKDM4EF10HRH3MAPT
SCHEMBL6258693 0.74 CYP3A4 (0.47) GAAKDM4EADRA2CMEN1KMT2A
SCHEMBL6258733 0.74 MAPT (0.40) KDM4EADRA2CMEN1KMT2AF10
SCHEMBL6260533 0.73 GAA (0.47) GAAKDM4EADRA2CMEN1KMT2A
SCHEMBL1028976 0.71 F10 (0.45) F10F2
SCHEMBL9734935 0.71 CXCR4 (0.43) GAAKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307431-B1 EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-10-26 EP disclosed
US-6541639-B2 Condensation reaction of 2-fluoro-4-iodoaniline with 2-(N,N-dimethylamino) in presence of 8-hydroxyquinoline and copper iodide BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-01 US disclosed
US-20020099225-A1 Efficient ligand-mediated ullmann coupling of anilnies and azoles BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-07-25 US 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 (1 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-20020099225-A1 Efficient ligand-mediated ullmann coupling of anilnies and azoles F12, F2, UTS2R GAA 3327/4885KDM4E 749/4885ADRA2C 2234/4885

“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.