SCHEMBL6754283

SCHEMBL6754283

CN(c1ccccn1)c1ccc(N)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
CYP2D6 P10635 3/20 0.43
CYP2C19 P33261 2/20 0.43
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PI4KA P42356 1/20 0.38
PI4K2B Q8TCG2 1/20 0.38
PI4K2A Q9BTU6 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
HRH1 P35367 3/20 0.37
CHRM2 P08172 3/20 0.37
ADRA2A P08913 3/20 0.37
DRD1 P21728 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 3/20 0.37
ADRA1A P35348 2/20 0.37
ADRA2B P18089 2/20 0.37

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
SCHEMBL30695438 0.83 CYP2D6 (0.50) L3MBTL1CYP2D6CYP2C19HRH1CHRM2
SCHEMBL231127 0.82 CYP2D6 (0.57) L3MBTL1CYP2D6CYP2C19NOS3NOS1
SCHEMBL7118806 0.82 L3MBTL1 (0.49) L3MBTL1CYP2D6CYP2C19NOS3NOS1
Methane SCHEMBL28533749 0.80 CYP2D6 (0.55) L3MBTL1CYP2D6CYP2C19NOS3NOS1
Hydrochloric Acid SCHEMBL6775520 0.80 CYP2D6 (0.55) L3MBTL1CYP2D6CYP2C19HRH1CHRM2
SCHEMBL25453080 0.80 DHFR (0.46) L3MBTL1CYP2D6CYP2C19KDM4EMAPK1
SCHEMBL5206210 0.80 CYP2D6 (0.44) L3MBTL1CYP2D6CYP2C19NOS3NOS1
SCHEMBL19828274 0.80 HDAC6 (0.48) L3MBTL1CYP2D6CYP2C19NOS3NOS2
SCHEMBL30639141 0.77 ALDH1A1 (0.43) L3MBTL1CYP2D6CYP2C19ADRA2AADRA2B
SCHEMBL4904986 0.75 CYP2D6 (0.50) L3MBTL1CYP2D6CYP2C19HRH1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 L3MBTL1 1260/4885CYP2D6 3022/4885CYP2C19 2549/4885

“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.