SCHEMBL2217482

SCHEMBL2217482

COc1ccc2c3ccnc(C)c3n(C(C)O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 16/20 0.66
MAOA P21397 2/20 0.66
ACHE P22303 2/20 0.57
HASPIN Q8TF76 3/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
BCHE P06276 1/20 0.55

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
SCHEMBL19050733 0.85 DYRK1A (0.66) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL19055781 0.83 DYRK1A (0.60) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL30939967 0.82 DYRK1A (0.62) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL16123505 0.82 DYRK1A (0.62) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL23150410 0.81 ACHE (0.65) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL16105054 0.80 DYRK1A (0.60) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL30939896 0.80 DYRK1A (0.60) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL30102487 0.80 DYRK1A (1.00) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL2216160 0.80 DYRK1A (1.00) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL16123666 0.79 DYRK1A (0.55) DYRK1AMAOAACHEHASPINHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772311-B2 Harmine derivatives, intermediates used in their preparations, preparation processes and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2014-07-08 US disclosed
EP-1634881-B1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) 2011-07-27 EP disclosed
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 disclosed
EP-1634881-A1 HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF Xinjiang Huashidan Pharmaceutical Research Co., Ltd. (CN) 2006-03-15 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-20090227619-A1 Harmine derivatives, intermediates used in their preparations, preparation processes and use therefo TPH1, HTR1F, TPH2 DYRK1A 2398/4885MAOA 48/4885ACHE 208/4885

“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.