SCHEMBL10322294

SCHEMBL10322294

COC(=O)c1cc2cnc(NCC3COC(C)(C)O3)cc2[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALK Q9UM73 1/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ CHEK2 O96017 2/20 0.34
▸ SPR P35270 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ DYRK1B Q9Y463 2/20 0.32
▸ FGFR1 P11362 2/20 0.32
▸ SRC P12931 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ HSD17B10 Q99714 3/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL10322375 0.90 BUB1 (0.41) BUB1ALDH1A1NPSR1ALKCA2
SCHEMBL10322550 0.86 RAB9A (0.41) BUB1ALDH1A1DYRK1ADYRK1BKMT2A
SCHEMBL10323114 0.86 DYRK1A (0.54) BUB1ALDH1A1DYRK1ADYRK1BSMN1; SMN2
SCHEMBL11890480 0.84 DYRK1A (0.45) BUB1ALDH1A1ALKSPRDYRK1A
SCHEMBL10322166 0.84 BUB1 (0.38) BUB1ALDH1A1NPSR1ALKCA2
SCHEMBL10322137 0.69 DYRK1A (0.43) ALDH1A1CHEK1SPRDYRK1ADYRK1B
SCHEMBL10321163 0.69 DYRK1A (0.42) ALDH1A1SPRDYRK1ADYRK1BKDM4E
SCHEMBL29598733 0.66 SMN1; SMN2 (0.38) CA2KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL30850769 0.66 MAPK8 (0.40) BUB1ALDH1A1NPSR1ALKCA2
SCHEMBL20839856 0.65 CCNK (0.56) ALDH1A1NPSR1CA2CCNKCDK12

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 4 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
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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