SCHEMBL10322166

SCHEMBL10322166

COC(=O)c1cc2ccc(NCC3COC(C)(C)O3)nc2[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NAMPT P43490 3/20 0.34
▸ CA2 P00918 1/20 0.33
▸ P2RX3 P56373 7/20 0.33
▸ ALK Q9UM73 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL10322294 0.84 BUB1 (0.39) BUB1ALDH1A1NPSR1CA2P2RX3
SCHEMBL10322375 0.74 BUB1 (0.41) BUB1ALDH1A1NPSR1NAMPTCA2
SCHEMBL10322550 0.73 RAB9A (0.41) BUB1ALDH1A1DYRK1ADYRK1BHPGD
SCHEMBL10323114 0.73 DYRK1A (0.54) BUB1ALDH1A1DYRK1ADYRK1BSMN1; SMN2
SCHEMBL11890480 0.72 DYRK1A (0.45) BUB1ALDH1A1ALKDYRK1ADYRK1B
SCHEMBL10330700 0.71 KDM4E (0.37) ALDH1A1CA2DYRK1ADYRK1BKDM4E
SCHEMBL29598733 0.67 SMN1; SMN2 (0.38) NAMPTCA2KDM4EGAAMEN1
SCHEMBL10321486 0.67 CLK1 (0.47) ALDH1A1NPSR1DYRK1ADYRK1BKDM4E
SCHEMBL10321581 0.67 KDM4E (0.46) ALDH1A1DYRK1ADYRK1BKDM4EGLA
SCHEMBL30850769 0.66 MAPK8 (0.40) BUB1ALDH1A1NPSR1NAMPTCA2

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 5 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
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
US-20120184562-A1 1,6- AND 1,8-NAPHTHYRIDINES LUK KIN-CHUN (US) 2012-07-19 — — US 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 BUB1 444/4885ALDH1A1 738/4885NPSR1 735/4885

“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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