SCHEMBL10320554

SCHEMBL10320554

COC(=O)c1cc2ccc(N3CCN(C)CC3)nc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ PARP1 P09874 2/20 0.43
▸ UCHL3 P15374 1/20 0.42
▸ AURKA O14965 4/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42
▸ HTR3A P46098 2/20 0.40
▸ HRH4 Q9H3N8 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL10322786 0.88 KDM4E (0.45) KDM4EKMT2AALDH1A1MEN1USP2
SCHEMBL10323421 0.83 POLB (0.48) KMT2AALDH1A1NPC1TP53MAPT
SCHEMBL10322064 0.82 DYRK1A (0.61) KDM4EKMT2AALDH1A1AURKAGAA
SCHEMBL10322092 0.82 DYRK1A (0.61) KMT2A
SCHEMBL10322494 0.79 KMT2A (0.47) KDM4EKMT2AALDH1A1MEN1USP2
SCHEMBL10321581 0.74 KDM4E (0.46) KDM4EALDH1A1HRH4GLAGAA
SCHEMBL10321486 0.74 CLK1 (0.47) KDM4EKMT2AALDH1A1GLAGAA
SCHEMBL8800895 0.71 KDM4E (0.47) KDM4EKMT2AALDH1A1MEN1USP2
SCHEMBL10324214 0.69 POLB (0.45) KDM4EALDH1A1PKMNPC1MAPT
SCHEMBL3173613 0.69 OGA (0.56) KDM4EKMT2AALDH1A1MEN1USP2

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 2930/4885KMT2A 1774/4885ALDH1A1 738/4885

“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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