SCHEMBL4166593

SCHEMBL4166593

COc1ccc2c3ccncc3n(C(C)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 2/20 0.52
ROCK2 O75116 4/20 0.44
DYRK1A Q13627 8/20 0.43
MAOA P21397 3/20 0.43
CHUK O15111 1/20 0.43
MAOB P27338 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
ACHE P22303 2/20 0.40
MAPT P10636 1/20 0.40
DYRK3 O43781 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK4 Q9NR20 1/20 0.39
DYRK1B Q9Y463 1/20 0.39

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
SCHEMBL12464508 0.79 MAOA (0.51) HASPINROCK2MAOACHUKMAOB
SCHEMBL1921708 0.78 HASPIN (0.61) HASPINROCK2DYRK1AMAOACHUK
SCHEMBL2217482 0.77 DYRK1A (0.66) HASPINDYRK1AMAOAACHE
SCHEMBL20147149 0.76 MAOA (0.46) HASPINROCK2MAOACHUKMAOB
SCHEMBL4176158 0.76 HASPIN (0.48) HASPINROCK2DYRK1AMAOACHUK
SCHEMBL16093621 0.74 HASPIN (0.54) HASPINROCK2DYRK1AMAOACHUK
SCHEMBL4166596 0.74 HASPIN (0.71) HASPINROCK2DYRK1AMAOAMAOB
SCHEMBL16099409 0.73 HASPIN (0.59) HASPINROCK2DYRK1AMAOAMAOB
SCHEMBL28917849 0.73 HASPIN (0.69) HASPINROCK2DYRK1AMAOAMAOB
SCHEMBL30939878 0.73 HASPIN (0.59) HASPINROCK2DYRK1AMAOAMAOB

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 467/4885ROCK2 1304/4885DYRK1A 2398/4885

“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.