SCHEMBL4858769

SCHEMBL4858769

COc1cc(Cl)cc(OCc2ccncc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.48
MAOB P27338 4/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
APP P05067 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP19A1 P11511 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL4852115 0.83 MAOB (0.67) MAOBMEN1KMT2AABCB1CYP1A2
SCHEMBL22305118 0.82 NOS3 (0.50) MAOBMEN1MAPK1HTTKMT2A
SCHEMBL4851777 0.82 HTR1A (0.51) MAOBMAPK1HTTSMN1; SMN2PDE4A
SCHEMBL791922 0.80 MAOB (0.72) MAOBMEN1MAPK1HTTKMT2A
SCHEMBL791959 0.79 MEN1 (0.63) MAOBMEN1KMT2ASMN1; SMN2SLC2A1
SCHEMBL10154064 0.77 APP (0.56) MAOBSMN1; SMN2APP
SCHEMBL5176108 0.76 MEN1 (0.59) MAOBMEN1KMT2A
SCHEMBL791851 0.76 SLC2A1 (0.50) MAOBMEN1KMT2ASMN1; SMN2CYP1A1
SCHEMBL4856658 0.75 SYK (0.53) HTTSMN1; SMN2ABCB1
SCHEMBL13667485 0.74 GRM5 (0.54) MAOBMEN1KMT2ASMN1; SMN2APP

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 PLK1 74/4885MAOB 1614/4885MEN1 2238/4885

“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.