SCHEMBL31165768

SCHEMBL31165768

CC(=O)c1ccc2cnccc2c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 10/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ DAPK3 O43293 1/20 0.45
▸ PLK1 P53350 1/20 0.45
▸ PLK3 Q9H4B4 1/20 0.45
▸ PLK2 Q9NYY3 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ ERN1 O75460 1/20 0.38
▸ HIPK2 Q9H2X6 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GALK1 P51570 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ SLC22A12 Q96S37 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
SCHEMBL1982994 0.88 HASPIN (0.51) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL2005696 0.85 HASPIN (0.48) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL1982292 0.78 TSHR (0.60) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL18935881 0.78 HASPIN (0.54) HASPINGSK3BDAPK3PLK1PLK3
Bromide SCHEMBL16238937 0.77 HASPIN (0.52) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL3609606 0.76 HASPIN (0.56) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL14423247 0.75 HASPIN (0.54) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL2502319 0.75 HASPIN (0.54) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL3589139 0.75 HASPIN (0.54) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL568019 0.75 HASPIN (0.54) HASPINGSK3BDAPK3PLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS PROTHENA BIOSCIENCES INC 2025-02-27 — — US disclosed
CN-118843626-A Heterocyclic compounds as DYRK1A inhibitors 普罗塞纳生物科学有限公司 2024-10-25 — — CN 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-20250066318-A1 HETEROCYCLIC COMPOUNDS AS DYRK1A INHIBITORS DYRK1A, DYRK2, DYRK1B HASPIN 1013/4885GSK3B 121/4885DAPK3 73/4885

“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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