SCHEMBL10322550

SCHEMBL10322550

COC(=O)c1cccc(NC(=O)c2cc3cnc(NCC4COC(C)(C)O4)cc3[nH]c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.41
▸ DYRK1A Q13627 3/20 0.40
▸ DYRK1B Q9Y463 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ BUB1 O43683 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ LIMK2 P53671 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ AURKA O14965 1/20 0.36

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
SCHEMBL10323114 0.89 DYRK1A (0.54) DYRK1ADYRK1BBUB1SMN1; SMN2ALDH1A1
SCHEMBL10322294 0.86 BUB1 (0.39) DYRK1ADYRK1BMEN1KMT2ABUB1
SCHEMBL11890480 0.83 DYRK1A (0.45) DYRK1ADYRK1BMEN1KMT2ABUB1
SCHEMBL10322375 0.81 BUB1 (0.41) MEN1KMT2ABUB1SMN1; SMN2ALDH1A1
SCHEMBL10322470 0.80 RAB9A (0.43) RAB9ADYRK1ADYRK1BMEN1KMT2A
SCHEMBL10321615 0.77 RAB9A (0.50) RAB9ADYRK1ADYRK1BNPC1MEN1
SCHEMBL10322166 0.73 BUB1 (0.38) DYRK1ADYRK1BMEN1KMT2ABUB1
SCHEMBL10322342 0.73 POLB (0.47) RAB9ADYRK1ADYRK1BCREBBPLIMK2
SCHEMBL10330656 0.71 GPR17 (0.54) RAB9ADYRK1ADYRK1BNPC1MEN1
SCHEMBL10446504 0.71 DYRK1A (0.53) RAB9ADYRK1ADYRK1BNPC1MEN1

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 RAB9A 559/4885DYRK1A 1366/4885DYRK1B 2109/4885

“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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