SCHEMBL10331304

SCHEMBL10331304

COc1cc2[nH]c(=O)c(C(=O)Nc3cc(C(=O)NCc4ccc(Cl)cc4)ccc3C)cc2cn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.56
▸ DYRK1B Q9Y463 14/20 0.56
▸ PIK3CA P42336 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43

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
SCHEMBL10331264 0.93 DYRK1A (0.66) DYRK1ADYRK1B
SCHEMBL10331378 0.92 DYRK1A (0.62) DYRK1ADYRK1B
SCHEMBL10331222 0.91 DYRK1A (0.66) DYRK1ADYRK1BROCK2ROCK1
SCHEMBL10331210 0.87 DYRK1A (0.55) DYRK1ADYRK1BROCK2ROCK1
SCHEMBL10331214 0.87 DYRK1A (0.64) DYRK1ADYRK1B
SCHEMBL10331185 0.86 DYRK1A (0.75) DYRK1ADYRK1B
SCHEMBL10331282 0.84 DYRK1A (0.64) DYRK1ADYRK1B
SCHEMBL10331303 0.84 DYRK1A (0.76) DYRK1ADYRK1B
SCHEMBL10321271 0.84 DYRK1A (0.72) DYRK1ADYRK1B
SCHEMBL10321742 0.84 DYRK1A (0.61) DYRK1ADYRK1B

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
WO-2012098066-A1 1,6- AND 1,8-NAPHTHYRIDINES USEFUL AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — WO disclosed
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 — — 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 (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-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES PSEN1, BRCA1, PSEN2 DYRK1A 1366/4885DYRK1B 2109/4885PIK3CA 1765/4885

“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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