SCHEMBL17517549

SCHEMBL17517549

COc1ccc2c3ccnc(C)c3n(Cn3c4cc(CO)ccc4c4ccnc(C)c43)c2c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.69
▸ MAOA P21397 2/20 0.64
▸ ACHE P22303 1/20 0.64
▸ HASPIN Q8TF76 4/20 0.62
▸ HTR2A P28223 1/20 0.62
▸ HTR2C P28335 1/20 0.62

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
SCHEMBL13874987 0.91 DYRK1A (0.82) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL2217485 0.83 DYRK1A (0.80) DYRK1AACHEHASPINHTR2AHTR2C
SCHEMBL20340616 0.83 DYRK1A (0.88) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL668477 0.82 DYRK1A (1.00) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL2215202 0.81 DYRK1A (0.81) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL21393533 0.81 DYRK1A (0.80) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17517503 0.81 DYRK1A (0.88) DYRK1AHASPINHTR2AHTR2C
SCHEMBL13875060 0.81 HASPIN (0.88) DYRK1AHASPINHTR2AHTR2C
SCHEMBL28590131 0.81 DYRK1A (0.79) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL13494641 0.81 DYRK1A (0.66) DYRK1AHTR2AHTR2C

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-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2018-07-03 — — US disclosed
US-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2016-02-11 — — 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 (2 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-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF BRCA1, CA7, DCK DYRK1A 2258/4885MAOA 3499/4885ACHE 1317/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK DYRK1A 2229/4885MAOA 3791/4885ACHE 1154/4885

“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.

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