SCHEMBL6258733

SCHEMBL6258733

CN(C)Cc1nccn1-c1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ADRA2C P18825 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 12/20 0.38
F2 P00734 2/20 0.36
F9 P00740 1/20 0.36
F5 P12259 1/20 0.36
CTRB1 P17538 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL10902250 0.84 MAPT (0.43) MAPTADRA2CKDM4EMEN1ALDH1A1
SCHEMBL5395497 0.82 F10 (0.43) MAPTKDM4EF10F2F9
SCHEMBL16361760 0.82 CYP3A4 (0.43) MEN1ALDH1A1KMT2AF10
SCHEMBL1028976 0.78 F10 (0.45) F10F2F9F5CTRB1
SCHEMBL589410 0.76 NR2E1 (0.44) KDM4EALDH1A1F10F2F9
SCHEMBL62408 0.75 CYP3A4 (0.57) MAPTADRA2CKDM4EMEN1ALDH1A1
SCHEMBL10641492 0.75 MAPT (0.47) MAPTADRA2CKDM4EMEN1ALDH1A1
SCHEMBL6262265 0.75 MAPT (0.50) MAPTADRA2CKDM4EMEN1ALDH1A1
SCHEMBL8268238 0.74 F10 (0.43) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL6259586 0.74 GAA (0.37) MAPTADRA2CKDM4EMEN1ALDH1A1

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 MAPT 3253/4885ADRA2C 2234/4885KDM4E 749/4885

“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.