Naphthoquinone

Naphthoquinone

SCHEMBL29778087

Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Pd])c(C)c1.Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Pd])c(C)c1.O=C1C=CC(=O)c2ccccc21.O=C1C=CC(=O)c2ccccc21

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CDC25B P30305 2/20 0.42
SNCA P37840 2/20 0.42
AKT1 P31749 1/20 0.42
MAP2K1 Q02750 1/20 0.42
PIN1 Q13526 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
NSD1 Q96L73 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
ALDH1A1 P00352 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 4/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 5/20 0.33
MAPK1 P28482 5/20 0.33

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
Naphthoquinone SCHEMBL820053 1.00 IDO1 (0.42) IDO1MAOAMAOBCDC25BSNCA
SCHEMBL318571 0.80 ALDH1A1 (0.33) ALDH1A1POLBNPSR1MAPTKDM4E
Naphthoquinone SCHEMBL29639242 0.75 DPP4 (0.44) IDO1MAOAMAOBCDC25BSNCA
Naphthoquinone SCHEMBL1820512 0.75 DPP4 (0.44) IDO1MAOAMAOBCDC25BSNCA
Naphthoquinone SCHEMBL27458460 0.68 CDC25B (0.74) IDO1MAOAMAOBCDC25BSNCA
Naphthoquinone SCHEMBL28300816 0.66 CDC25B (0.70) IDO1MAOAMAOBCDC25BSNCA
SCHEMBL19838232 0.66 KMT2A (0.55) ALDH1A1L3MBTL1MEN1KMT2APOLB
Naphthoquinone SCHEMBL29148785 0.65 IDO1 (0.88) IDO1MAOAMAOBCDC25BSNCA
Naphthoquinone SCHEMBL29354680 0.65 IDO1 (1.00) IDO1MAOAMAOBCDC25BSNCA
Naphthoquinone SCHEMBL11359780 0.65 IDO1 (1.00) IDO1MAOAMAOBCDC25BSNCA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024256574-A1 PROCESS FOR PREPARING MACROCYCLIC BTK INHIBITORS CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-12-19 WO claimed
US-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-09-12 US claimed
US-20220396576-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR BLUEPRINT MEDICINES CORPORATION 2022-12-15 US claimed
EP-4038071-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR Blueprint Medicines Corporation (US) 2022-08-10 EP claimed
EP-4038071-B1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR BLUEPRINT MEDICINES CORP (US) 2024-12-18 EP disclosed
US-20220396576-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR BLUEPRINT MEDICINES CORPORATION 2022-12-15 US disclosed
US-20220389310-A1 LUMINESCENT MATERIALS AND METHODS THEREOF UNIVERSITY OF WASHINGTON (US) 2022-12-08 US disclosed
EP-4038071-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR Blueprint Medicines Corporation (US) 2022-08-10 EP 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 (3 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-20240300922-A1 PROCESS FOR PREPARING EGFR INHIBITORS EGFR, ERBB2, ERBB4 IDO1 3497/4885MAOA 2182/4885MAOB 1446/4885
US-20220389310-A1 LUMINESCENT MATERIALS AND METHODS THEREOF TYR, GSTA2, CYBA IDO1 898/4885MAOA 158/4885MAOB 247/4885
US-20220396576-A1 PROCESS FOR PREPARING AN ACTIVIN RECEPTOR-LIKE KINASE INHIBITOR ACVR1, ACVRL1, BMP2K IDO1 705/4885MAOA 538/4885MAOB 458/4885

“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.