SCHEMBL10322786

SCHEMBL10322786

CN1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ PARP1 P09874 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTR3A P46098 5/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ TNKS O95271 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 3/20 0.39

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
SCHEMBL10320554 0.88 KDM4E (0.51) KDM4EALDH1A1PARP1MEN1USP2
SCHEMBL10324192 0.79 TNKS (0.43) KDM4EALDH1A1USP2HTR3AHRH4
SCHEMBL10323421 0.77 POLB (0.48) ALDH1A1KMT2ATP53MAPTL3MBTL1
SCHEMBL10322954 0.77 HTR3A (0.46) KDM4EALDH1A1PARP1MEN1USP2
SCHEMBL10322064 0.76 DYRK1A (0.61) KDM4EALDH1A1KMT2AAURKA
SCHEMBL10322092 0.75 DYRK1A (0.61) KMT2A
SCHEMBL27840816 0.74 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2A
SCHEMBL10323489 0.71 DYRK1A (0.55) —
SCHEMBL10321662 0.70 KDM4E (0.52) KDM4EALDH1A1MEN1USP2KMT2A
SCHEMBL10323036 0.70 DYRK1A (0.56) —

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 KDM4E 2930/4885ALDH1A1 738/4885PARP1 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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