SCHEMBL4166596

SCHEMBL4166596

COc1ccc2c3ccncc3n(CCO)c2c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 3/20 0.71
MAOA P21397 3/20 0.52
MAOB P27338 1/20 0.52
DYRK1A Q13627 14/20 0.49
ROCK2 O75116 2/20 0.47
ACHE P22303 1/20 0.47
DYRK3 O43781 1/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
CLK3 P49761 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK2 Q92630 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK4 Q9NR20 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL30939953 0.83 HASPIN (1.00) HASPINMAOAMAOBDYRK1ADYRK2
SCHEMBL12286389 0.83 HASPIN (1.00) HASPINMAOAMAOBDYRK1ADYRK2
SCHEMBL28917849 0.82 HASPIN (0.69) HASPINMAOAMAOBDYRK1AROCK2
SCHEMBL4176160 0.80 HASPIN (0.69) HASPINMAOAMAOBDYRK1AROCK2
SCHEMBL28586222 0.80 HASPIN (0.73) HASPINMAOAMAOBDYRK1AROCK2
SCHEMBL1921708 0.80 HASPIN (0.61) HASPINMAOAMAOBDYRK1AROCK2
SCHEMBL4169248 0.79 HASPIN (0.61) HASPINMAOADYRK1AROCK2ACHE
SCHEMBL2217485 0.78 DYRK1A (0.80) HASPINDYRK1AACHEHTR2AHTR2C
SCHEMBL16099409 0.77 HASPIN (0.59) HASPINMAOAMAOBDYRK1AROCK2
SCHEMBL30939878 0.77 HASPIN (0.59) HASPINMAOAMAOBDYRK1AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2009-09-10 US claimed

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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 HASPIN 467/4885MAOA 48/4885MAOB 16/4885

“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.