SCHEMBL12070349

SCHEMBL12070349

Cc1nccc2c3ccc(OCc4ccccc4)cc3n(Cc3ccccc3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 13/20 1.00
▸ PLK1 P53350 2/20 0.64
▸ PLK3 Q9H4B4 2/20 0.64
▸ PLK2 Q9NYY3 2/20 0.64
▸ MAOA P21397 4/20 0.54
▸ ACHE P22303 2/20 0.53
▸ HASPIN Q8TF76 3/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ MAOB P27338 1/20 0.51

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
SCHEMBL27939724 0.91 DYRK1A (0.83) DYRK1APLK1PLK3PLK2MAOA
SCHEMBL2215202 0.89 DYRK1A (0.81) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL12071332 0.89 DYRK1A (0.80) DYRK1APLK1PLK3PLK2MAOA
SCHEMBL12070347 0.89 DYRK1A (0.80) DYRK1APLK1PLK3PLK2MAOA
SCHEMBL27921188 0.88 DYRK1A (0.78) DYRK1APLK1PLK3PLK2MAOA
SCHEMBL27939758 0.87 DYRK1A (0.77) DYRK1APLK1PLK3PLK2MAOA
SCHEMBL12070348 0.86 DYRK1A (0.75) DYRK1APLK1PLK3PLK2MAOA
SCHEMBL12070353 0.84 DYRK1A (0.73) DYRK1APLK1PLK3PLK2MAOA
SCHEMBL27908712 0.81 DYRK1A (0.67) DYRK1A
SCHEMBL13875091 0.79 DYRK1A (0.65) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9168247-B2 Beta carboline derivatives useful in the treatment of proliferative disorders FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX (BE) 2015-10-27 — — US disclosed
US-9168247-B2 Beta carboline derivatives useful in the treatment of proliferative disorders FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX (BE) 2015-10-27 — — US disclosed
US-9168247-B2 Beta carboline derivatives useful in the treatment of proliferative disorders FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX (BE) 2015-10-27 — — US disclosed
US-20140005220-A9 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS UNIVERSITE LIBRE DE BRUXELLES (BE) 2014-01-02 — — US disclosed
US-20130116273-A1 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS UNIVERSITE LIBRE DE BRUXELLES (BE) 2013-05-09 — — US disclosed
US-20130116273-A1 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS UNIVERSITE LIBRE DE BRUXELLES (BE) 2013-05-09 — — US disclosed
US-20130116273-A1 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS UNIVERSITE LIBRE DE BRUXELLES (BE) 2013-05-09 — — US disclosed
CN-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 — — CN disclosed
WO-2011161256-A1 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX (BE) 2011-12-29 — — WO 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-20140005220-A9 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS CCNI, CCNA1, BRCA1 DYRK1A 2151/4885PLK1 661/4885PLK3 888/4885
US-20130116273-A1 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS CCNI, CCNA1, BRCA1 DYRK1A 2151/4885PLK1 661/4885PLK3 888/4885

“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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