SCHEMBL10322954

SCHEMBL10322954

CN1CCN(c2cc3[nH]c(=O)c(C(=O)O)cc3cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.46
▸ TNKS O95271 3/20 0.42
▸ PARP1 P09874 2/20 0.41
▸ HRH4 Q9H3N8 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10322494 0.87 KMT2A (0.47) HTR3ATNKSPARP1HRH4KDM4E
SCHEMBL10324192 0.78 TNKS (0.43) HTR3ATNKSHRH4KDM4EALDH1A1
SCHEMBL10322786 0.77 KDM4E (0.45) HTR3ATNKSPARP1HRH4KDM4E
SCHEMBL10322342 0.76 POLB (0.47) ALDH1A1POLBRAB9AL3MBTL1
SCHEMBL10322440 0.75 DYRK1A (0.61) KDM4EALDH1A1RAB9AL3MBTL1KMT2A
SCHEMBL10322753 0.75 DYRK1A (0.61) ALDH1A1
SCHEMBL31500280 0.73 HTR3A (0.48) HTR3AHRH4KDM4EALDH1A1RAB9A
SCHEMBL4763427 0.72 MAPT (0.53) HTR3AHRH4ALDH1A1POLBL3MBTL1
SCHEMBL14558281 0.72 WNT1 (0.49) HTR3AHRH4KDM4EALDH1A1RAB9A
SCHEMBL10322179 0.71 KDM4E (0.55) KDM4EALDH1A1POLBGAAL3MBTL1

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 HTR3A 753/4885TNKS 465/4885PARP1 416/4885

“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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