SCHEMBL14915781

SCHEMBL14915781

Cc1nccc2c3ccc(OCCC(C)C)cc3n(CCC(C)C)c12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.61
▸ HASPIN Q8TF76 5/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ ACHE P22303 1/20 0.53
▸ MAOA P21397 1/20 0.53

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
SCHEMBL17102959 0.82 DYRK1A (0.84) DYRK1AHASPINHTR2AHTR2CMAOA
SCHEMBL17502379 0.82 DYRK1A (0.80) DYRK1AHASPINHTR2AHTR2C
SCHEMBL27921179 0.81 DYRK1A (0.65) DYRK1AHASPINHTR2AHTR2CACHE
SCHEMBL17502366 0.81 DYRK1A (0.78) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17102950 0.80 DYRK1A (0.77) DYRK1AHASPINHTR2AHTR2C
SCHEMBL27917535 0.80 DYRK1A (0.76) DYRK1AHASPINHTR2AHTR2CMAOA
Benzene SCHEMBL27921298 0.80 DYRK1A (0.58) DYRK1AHASPINHTR2AHTR2CACHE
SCHEMBL23150413 0.79 DYRK1A (0.74) DYRK1AHASPINHTR2AHTR2CACHE
SCHEMBL20340616 0.79 DYRK1A (0.88) DYRK1AHASPINHTR2AHTR2CACHE
SCHEMBL27939882 0.79 DYRK1A (0.73) DYRK1AHASPINHTR2AHTR2CACHE

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 3 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-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

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 2151/4885HASPIN 1835/4885HTR2A 2186/4885
US-20130116273-A1 BETA CARBOLINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS CCNI, CCNA1, BRCA1 DYRK1A 2151/4885HASPIN 1835/4885HTR2A 2186/4885

“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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