SCHEMBL12070353

SCHEMBL12070353

Cc1nccc2c3ccc(O)cc3n(Cc3ccccc3)c12

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 14/20 0.73
▸ SRC P12931 1/20 0.51
▸ PLA2G2A P14555 1/20 0.50
▸ MCL1 Q07820 2/20 0.47
▸ PLK1 P53350 2/20 0.45
▸ PLK3 Q9H4B4 2/20 0.45
▸ PLK2 Q9NYY3 2/20 0.45
▸ HASPIN Q8TF76 2/20 0.45
▸ ACHE P22303 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44

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
SCHEMBL13494643 0.87 DYRK1A (0.57) DYRK1APLA2G2AHTR2AHTR2C
SCHEMBL27899833 0.86 DYRK1A (0.55) DYRK1ASRCHASPIN
SCHEMBL12070349 0.84 DYRK1A (1.00) DYRK1APLK1PLK3PLK2HASPIN
SCHEMBL27908712 0.84 DYRK1A (0.67) DYRK1AMCL1
SCHEMBL2215202 0.83 DYRK1A (0.81) DYRK1AHASPINACHEMAOAHTR2A
SCHEMBL27921175 0.83 DYRK1A (0.67) DYRK1AHASPINACHEMAOAHTR2A
SCHEMBL27939720 0.80 DYRK1A (0.50) DYRK1AHASPINACHEMAOAHTR2A
SCHEMBL8852076 0.79 DYRK1A (0.70) DYRK1AHASPIN
SCHEMBL30939988 0.78 DYRK1A (0.71) DYRK1AHASPINHTR2AHTR2C
SCHEMBL16123659 0.78 DYRK1A (0.71) DYRK1AHASPINHTR2AHTR2C

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 8 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
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 2151/4885SRC 3918/4885PLA2G2A 4165/4885
US-20130116273-A1 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS CCNI, CCNA1, BRCA1 DYRK1A 2151/4885SRC 3918/4885PLA2G2A 4165/4885

“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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